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9-Nonadecenethioic acid, 12-hydroxy-, phenyl ester

View entire compound with spectra: 2 MS (GC)

9-Nonadecenethioic acid, 12-hydroxy-, phenyl ester
SpectraBase Compound ID LW1HMO0y4pv
InChI InChI=1S/C25H40O2S/c1-2-3-4-9-13-18-23(26)19-14-10-7-5-6-8-11-17-22-25(27)28-24-20-15-12-16-21-24/h10,12,14-16,20-21,23,26H,2-9,11,13,17-19,22H2,1H3/b14-10+
InChIKey BWJVRKBVGOJWQV-GXDHUFHOSA-N
Mol Weight 404.7 g/mol
Molecular Formula C25H40O2S
Exact Mass 404.274902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQazi7YEr4J
Name
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H40O2S
InChI InChI=1S/C25H40O2S/c1-2-3-4-9-13-18-23(26)19-14-10-7-5-6-8-11-17-22-25(27)28-24-20-15-12-16-21-24/h10,12,14-16,20-21,23,26H,2-9,11,13,17-19,22H2,1H3/b14-10+
InChIKey BWJVRKBVGOJWQV-GXDHUFHOSA-N
Molecular Weight 404.2739
SMILES OC(CCCCCCC)C\C=C\CCCCCCCC(=O)Sc1ccccc1
SPLASH splash10-014m-9600000000-f24737b28c7157ff4cec
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany