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(E)-3-methyl-4-(phenylthio)-2-heptenoic acid tert-butyl ester
SpectraBase Compound ID JIiTsIvEcZY
InChI InChI=1S/C18H26O2S/c1-6-10-16(21-15-11-8-7-9-12-15)14(2)13-17(19)20-18(3,4)5/h7-9,11-13,16H,6,10H2,1-5H3/b14-13+
InChIKey QZUGYZZFXFPGOV-BUHFOSPRSA-N
Mol Weight 306.46 g/mol
Molecular Formula C18H26O2S
Exact Mass 306.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWN4LdYvRjc
Name (E)-3-methyl-4-(phenylthio)-2-heptenoic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O2S
InChI InChI=1S/C18H26O2S/c1-6-10-16(21-15-11-8-7-9-12-15)14(2)13-17(19)20-18(3,4)5/h7-9,11-13,16H,6,10H2,1-5H3/b14-13+
InChIKey QZUGYZZFXFPGOV-BUHFOSPRSA-N
Molecular Weight 306.464 g/mol
SMILES C(\C=C\(C(Sc1ccccc1)CCC)C)(OC(C)(C)C)=O
SPLASH splash10-0a4i-9740000000-ae57ade23938cd26640b
Source of Spectrum QF-48-1378-8
Synonyms (E)-3-methyl-4-(phenylthio)hept-2-enoic acid tert-butyl ester tert-Butyl (E)-3-methyl-4-phenylsulfanyl-hept-2-enoate
Wiley ID 833973