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9-Octadecenethioic acid, 12-hydroxy-, S-t-butyl ester

View entire compound with spectra: 2 MS (GC)

9-Octadecenethioic acid, 12-hydroxy-, S-t-butyl ester
SpectraBase Compound ID 1AQJc0KMHvi
InChI InChI=1S/C22H42O2S/c1-5-6-7-14-17-20(23)18-15-12-10-8-9-11-13-16-19-21(24)25-22(2,3)4/h12,15,20,23H,5-11,13-14,16-19H2,1-4H3/b15-12+
InChIKey YJXRVYGWMCQANV-NTCAYCPXSA-N
Mol Weight 370.6 g/mol
Molecular Formula C22H42O2S
Exact Mass 370.290552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9CjybIpqpTg
Name
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H42O2S
InChI InChI=1S/C22H42O2S/c1-5-6-7-14-17-20(23)18-15-12-10-8-9-11-13-16-19-21(24)25-22(2,3)4/h12,15,20,23H,5-11,13-14,16-19H2,1-4H3/b15-12+
InChIKey YJXRVYGWMCQANV-NTCAYCPXSA-N
Molecular Weight 370.2895
SMILES OC(C\C=C\CCCCCCCC(SC(C)(C)C)=O)CCCCCC
SPLASH splash10-066s-9600000000-9178dfa9ed166e2c65c6
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany