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6-Dodecenoic acid, 8-(butylthio)-5,9-dihydroxy-, methyl ester
SpectraBase Compound ID Eindoua0rox
InChI InChI=1S/C17H32O4S/c1-4-6-13-22-16(15(19)8-5-2)12-11-14(18)9-7-10-17(20)21-3/h11-12,14-16,18-19H,4-10,13H2,1-3H3/b12-11+
InChIKey UWPPJANQQGSDCZ-VAWYXSNFSA-N
Mol Weight 332.5 g/mol
Molecular Formula C17H32O4S
Exact Mass 332.202131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LkE58lMETUU
Name 6-Dodecenoic acid, 8-(butylthio)-5,9-dihydroxy-, methyl ester
CAS Registry Number 115066-01-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H32O4S
InChI InChI=1S/C17H32O4S/c1-4-6-13-22-16(15(19)8-5-2)12-11-14(18)9-7-10-17(20)21-3/h11-12,14-16,18-19H,4-10,13H2,1-3H3/b12-11+
InChIKey UWPPJANQQGSDCZ-VAWYXSNFSA-N
Molecular Weight 332.499 g/mol
SMILES OC(\C=C\C(C(O)CCC)SCCCC)CCCC(=O)OC
SPLASH splash10-0udl-0960000000-b5e2daf1a6a54ba2c5d7
Source of Spectrum F-43-4263-16
Synonyms Methyl (6E)-8-(butylsulfanyl)-5,9-dihydroxy-6-dodecenoate Methyl 5,9-dihydroxy-8-butylthio-dode-6-enate Methyl-5,9-dihydro-8-butanethiol-6-dodecanoate Methyl-5,9-dihydroxy-8-butanethiol-6-dodecenoate
Wiley ID 1329289