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Butyl 2,2-dimethyl-4-phenylthiopent-3-enoate
SpectraBase Compound ID INDCLy9NSvn
InChI InChI=1S/C17H24O2S/c1-5-6-12-19-16(18)17(3,4)13-14(2)20-15-10-8-7-9-11-15/h7-11,13H,5-6,12H2,1-4H3/b14-13+
InChIKey LOANFDSLYMOGPK-BUHFOSPRSA-N
Mol Weight 292.44 g/mol
Molecular Formula C17H24O2S
Exact Mass 292.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4eCPVgzUg4l
Name Butyl 2,2-dimethyl-4-phenylthiopent-3-enoate
CAS Registry Number 88088-06-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O2S
InChI InChI=1S/C17H24O2S/c1-5-6-12-19-16(18)17(3,4)13-14(2)20-15-10-8-7-9-11-15/h7-11,13H,5-6,12H2,1-4H3/b14-13+
InChIKey LOANFDSLYMOGPK-BUHFOSPRSA-N
Molecular Weight 292.437 g/mol
SMILES C(\C=C/(Sc1ccccc1)C)(C(=O)OCCCC)(C)C
SPLASH splash10-0006-0900000000-e15fcfb13b5077aa5701
Source of Spectrum KC-1986-1956-39
Synonyms Butyl (3E)-2,2-dimethyl-4-(phenylsulfanyl)-3-pentenoate
Wiley ID 1295527