General comments
• inspect molecular formula CmHh0oNnXx: Degree of unsaturation m + 1 — 0.5(h + x — n)
• identify signals of CH3 and exchangeable protons in ID 1H sectrum
• arbitrary numbering (e.g., from lower to higher value of chemical shift) of resolved resonances in all spectra
• identification of the individual spin systems using DQF-COSY
• resolve geminal protons using HSQC
• connect molecular fragments/isolated spins using HMBC, NOESY
specify the stereochemistry (relative configuration) by means of J— and NOE interaction
• in ID spectrum bottom blue numbers are integrals, labels in violet frames contains the arbitrary label (A-N), multiplet specification (use with caution, automatically determined), and position of a signal in ppm
9 UnHa-UnHb in 2D reffers to correlation of protons a and b of unknown compound Un
^■H^^^H 1/3
ID XH of C10H20O
1H ID
).8M DMSO 25CTXI
(d) 4128
4.0
Jan Novotný
-Tr
M (tt) 3.16
hr1
3.5
3.0
L (heptd) 2.20
K(m) 1.83
J V_
2.5 fl (ppm)
—1—
2.0
—1—
1.5
—1—
1.0
—r
0.5
2/3
Task 1: J-connectivity of C10H20O
J_I_L
4
J_I_L
J_I_L
J_I_I_L
J_I_I_I_I_—I_I_I_L
E
o. 2
Q_ e-
UnHc-Hm
UnHg-Hm
UnHk-Hmi
UnHb-Hj UnHc-Hk     \ UnHb-HiJ
UnHb-Hh
UrliHb-Hf
UnHf-Hc
UnHe UnHf-Hi
UnHf-Hb
3H
UnHm-Hn
Jan Novotný
1
* 9
□ [31
i
3/3
Task 1: ./-connectivity of C10H20O
Task 1: J-connectivity of C10H20O
E
o. 2
Q_ e-
3-
1 1
UnHg-Hm'
UnHk-Hmi
UnHm-Hn
Jan Novotný
UnHJ-Hj
□ S1
3/3
Task
1: -/-connectivity of C10H20O
1-
E
a. 2 a.
3-
J_L
UnHg-Hm'
UnHk-Hmi
UnHm-Hn
Jan Novotný
IMHb-Hf
□
UnHf-Hb
VII
3/3
Task 1: J-connectivity of C10H20O
j_1_i_
_i_1_i_
30H
HSQC HMBC
35H
E
Q. Q.
O
co
40H
45H
50H
UnC8-Hn
^ TT,UnC6-He UnC6-HUi^6-Hhy V^c6-Hb
UnC6-Hki----^' ^
h 30
UnC7-He^ UnC6-Hf
UnC7-Hk»
UnC7-Hj
h 35
UnC7-Hb
UnC7-Hi
h 40
UnC8-He
UnC8-Hm
UnC8-Hk„ „n „_\ UnC8-Hb UnC8-Hh
xUnC8-Hh
h 45
UnC9-Hn UnC9-Hm
\ \
UnC9;H1    UnC9-Hd °n""f \  UnC9-Hi \ Un""Ha
UnC9-Hg
h 50
=
Jan Novotný