| SpectraBase Spectrum ID |
624JXlUttZU |
| Name |
Methyl 2-(12-Cyano-1,5,9-trimethyl-14-oxocyclotetradeca-4,8-dienyl)acetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H31NO3 |
| InChI |
InChI=1S/C21H31NO3/c1-16-7-5-8-17(2)10-11-18(15-22)13-19(23)21(3,12-6-9-16)14-20(24)25-4/h8-9,18H,5-7,10-14H2,1-4H3/b16-9+,17-8+/t18?,21-/m0/s1 |
| InChIKey |
WTBZPBRQGRYAQQ-KQNHAANESA-N |
| Molecular Weight |
345.483 g/mol |
| SMILES |
[C@]1(C(CC(C#N)CC\C(C)=C\CC\C(=C\CC1)C)=O)(CC(=O)OC)C |
| SPLASH |
splash10-0002-0009000000-a48fccda98acbcc552dd |
| Source of Spectrum |
KC-1993-222-15 |
| Synonyms |
epimer Methyl 2-(12-Cyano-1,5,9-trimethyl-14-oxocyclotetradeca-4,8-dienyl)acetate
((4E,8E)-(S)-12-Cyano-1,5,9-trimethyl-14-oxo-cyclotetradeca-4,8-dienyl)-acetic acid methyl ester
methyl[(1S)-12-cyano-1,5,9-trimethyl-14-oxo-4,8-cyclotetradecadien-1-yl]acetate
methyl (12-cyano-1,5,9-trimethyl-14-oxo-4,8-cyclotetradecadien-1-yl)acetate |
| Wiley ID |
778687 |
