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biomolecules

The
third
signal
is
a
triplet.

This
means
that
there
are
3‐1
neighbors,
which

equals
two
neighbors.
‐ Now
you
can
find
the
implications,
which
deal
with
the
C‐H
skeleton
of
a
molecule

(or
N‐H/O‐H
if
they
are
present
in
the
IR
spectrum/molecular
formula)


First
Signal:
has
two
neighbors

means
that
the
underlined
C‐H
part
of
the

skeleton
that
we
are
looking
at
has
two
protons
as
neighbors
2x:
‐CH2CH2 2x:
CHCH2CH
4x:
‐CHCH2 4x:
CHCHCH
Second
Signal:
has
five
neighbors
2x:
CH3CH2CH2 4x:
CH3CHCH2
4x:
CH3CH(CH)2
Third
Signal:
has
two
neighbors
2x:
CH3CH2 3x:
CH2‐CH2
3x:
CHCH2CH 6x:
CHCH2
6x:
CHCHCH

  1. After
finding
the
implications,
you
then
look
at
all
of
them
and
find
the
most
likely

    implication
that
would
make
up
a
molecular
structure
[MOST
LIKELY
STRUCTURE
=
LEAST

    NUMBER
OF
ATOMS].

Always
look
for
the
simplest
implications!

Additionally,
look
for

    implications
that
can
be
eliminated
based
on
validity
(YOU
CANNOT
HAVE
A
CARBON
WITH

    MORE
THAN
FOUR
BONDS!).

    • First
Signal:

    2x:
‐CH2CH2 2x:
CHCH2CH
    • Second
Signal
    2x:
CH3CH2CH2 4x:
CH3CHCH2
    4x:
CH3CH(CH)2
    • Third
Signal:

    2x:
CH3CH2 3x:
CH2CH2
    3x:
CHCH2CH 6x:
CHCH2 6x:
CHCHCH
    Two
neighboring

    protons
    Two
total
neighboring

    protons
    Two
neighboring

    protons
    Two
total
neighboring

    protons
    **
The
2x
and
4x
before
the
C‐H

    skeleton
refer
to
the
factor
in
which

    you
multiply
the
number
of

    hydrogen
atoms
underlined
by.

This

    will
give
you
the
total
number
of

    equivalent
hydrogens
you
calculated

    before
in
Step
2.
    These
cannot
be
possible
implications

    because
they
are
the
only
implications
that

    are
multiplied
by
a
factor
of
3.

They

    therefore
can
be
discarded.
    These
cannot
be
possible
implications
because
they
form

    hexavalent
carbons,
and
carbons
can
only
form
four
bonds.
    Both
of
these

    implications
have

    CH3CH2
in
them,
so

    we
can
assume

    they
are
part
of
the

    molecular

    structure.
    Because
the
implications
circled
green
both
have
CH3CH2
in

    them
and
can
therefore
be
confirmed
as
part
of
the
structure,

    we
now
need
to
find
a
final
implication
that
will
coincide
with

    them.

Because
this
implication
is
very
similar
to
the
ones
we

    have
already
picked
out,
and
because
it
contains
a
CH2CH2,
just
    like
the
implication
from
the
second
signal,
we
can
therefore

    conclude
that
this
is
the
final
implication
that
will
make
up
our

    molecular
structure.
  2. Now
we
know
that
our
molecular
structure
is
composed
of
three
implications
that
make
up
    2
CH3CH2CH2
structures.

But
if
you
look
at
the
circled
implication
from
the
First
Signal,
there

    is
an
attachment
on
the
first
CH2
(‐CH2CH2).

This
means
that
something
attaches
to
this

    carbon.