For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4,5-Heptadienoic acid, 2-acetyl-, ethyl ester, (R*,S*)-
SpectraBase Compound ID BT5RHAHsU8C
InChI InChI=1S/C11H16O3/c1-4-6-7-8-10(9(3)12)11(13)14-5-2/h4,7,10H,5,8H2,1-3H3/t6?,10-/m1/s1
InChIKey ZRKLXSWRVSKTSQ-PHUNFMHTSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6vpJvIrldHZ
Name 4,5-Heptadienoic acid, 2-acetyl-, ethyl ester, (R*,S*)-
CAS Registry Number 114707-20-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-4-6-7-8-10(9(3)12)11(13)14-5-2/h4,7,10H,5,8H2,1-3H3/t6?,10-/m1/s1
InChIKey ZRKLXSWRVSKTSQ-PHUNFMHTSA-N
Molecular Weight 196.246 g/mol
SMILES [C@@](C(=O)OCC)(C(=O)C)(CC=C=CC)[H]
SPLASH splash10-052f-9500000000-f0a26374d532ec854292
Source of Spectrum F-43-3450-8
Synonyms Ethyl (2R)-2-acetyl-4,5-heptadienoate Ethyl 2-acetylhepta-4,5-dienoate
Wiley ID 1193154