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Methyl 2-ethyl-2-methyl-4-phenylthiohex-3-enoate
SpectraBase Compound ID 5jKDpd8PXts
InChI InChI=1S/C16H22O2S/c1-5-13(19-14-10-8-7-9-11-14)12-16(3,6-2)15(17)18-4/h7-12H,5-6H2,1-4H3/b13-12+
InChIKey UDWNBADMDDSGOF-OUKQBFOZSA-N
Mol Weight 278.41 g/mol
Molecular Formula C16H22O2S
Exact Mass 278.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENckUCcC8mM
Name Methyl 2-ethyl-2-methyl-4-phenylthiohex-3-enoate
Alternate Name(s) Methyl (3E)-2-ethyl-2-methyl-4-(phenylsulfanyl)-3-hexenoate
CAS Registry Number 88088-04-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2S
InChI InChI=1S/C16H22O2S/c1-5-13(19-14-10-8-7-9-11-14)12-16(3,6-2)15(17)18-4/h7-12H,5-6H2,1-4H3/b13-12+
InChIKey UDWNBADMDDSGOF-OUKQBFOZSA-N
Molecular Weight 278.410 g/mol
SMILES C(\C=C/(Sc1ccccc1)CC)(C(=O)OC)(CC)C
SPLASH splash10-014i-0960000000-7d863374571c2c940215
Source of Spectrum KC-1986-1956-38
Wiley ID 1281996