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HEPTADECA-1,6,11,16-TETRAEN-9-CARBOXYLIC ACID, 9-CYANO-, METHYL ESTER (cis/trans-ISOMER)
SpectraBase Compound ID L0vjhVSaGcC
InChI InChI=1S/C20H29NO2/c1-4-6-8-10-12-14-16-20(18-21,19(22)23-3)17-15-13-11-9-7-5-2/h4-5,12-15H,1-2,6-11,16-17H2,3H3/b14-12+,15-13+
InChIKey QGRBSQQWMKGWRK-QUMQEAAQSA-N
Mol Weight 315.46 g/mol
Molecular Formula C20H29NO2
Exact Mass 315.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9EMecPAEMrB
Name HEPTADECA-1,6,11,16-TETRAEN-9-CARBOXYLIC ACID, 9-CYANO-, METHYL ESTER (cis/trans-ISOMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H29NO2
InChI InChI=1S/C20H29NO2/c1-4-6-8-10-12-14-16-20(18-21,19(22)23-3)17-15-13-11-9-7-5-2/h4-5,12-15H,1-2,6-11,16-17H2,3H3/b14-12+,15-13+
InChIKey QGRBSQQWMKGWRK-QUMQEAAQSA-N
Instrument Name CH7
Molecular Weight 315.2191
SMILES C=CCCC\C=C\CC(C\C=C\CCCC=C)(C#N)C(OC)=O
SPLASH splash10-0aor-9300000000-7d2c08d95c800c32923c
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany