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(Z)-3-Ethyl-4-(phenylthio)-3-octen-2-one
SpectraBase Compound ID GqtbH76OvOY
InChI InChI=1S/C16H22OS/c1-4-6-12-16(15(5-2)13(3)17)18-14-10-8-7-9-11-14/h7-11H,4-6,12H2,1-3H3/b16-15-
InChIKey KZZFUHRMHZMANB-NXVVXOECSA-N
Mol Weight 262.41 g/mol
Molecular Formula C16H22OS
Exact Mass 262.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KOzsnWDbpSG
Name (Z)-3-Ethyl-4-(phenylthio)-3-octen-2-one
Alternate Name(s) (3Z)-3-ethyl-4-(phenylsulfanyl)-3-octen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22OS
InChI InChI=1S/C16H22OS/c1-4-6-12-16(15(5-2)13(3)17)18-14-10-8-7-9-11-14/h7-11H,4-6,12H2,1-3H3/b16-15-
InChIKey KZZFUHRMHZMANB-NXVVXOECSA-N
Molecular Weight 262.411 g/mol
SMILES c1(S\C(=C/(C(=O)C)CC)CCCC)ccccc1
SPLASH splash10-0w29-0960000000-51b8d29a5b24b0d17afe
Source of Spectrum KC-60-378-3
Wiley ID 1582948