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3-[2-(Methylthio)-4-phenylbut-3-enyl]cyclopentanone
SpectraBase Compound ID DDUNQmO9V3T
InChI InChI=1S/C16H20OS/c1-18-16(12-14-7-9-15(17)11-14)10-8-13-5-3-2-4-6-13/h2-6,8,10,14,16H,7,9,11-12H2,1H3/b10-8+
InChIKey PHXZUTONRWPMEF-CSKARUKUSA-N
Mol Weight 260.39 g/mol
Molecular Formula C16H20OS
Exact Mass 260.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ReEdZ4bZlJ
Name 3-[2-(Methylthio)-4-phenylbut-3-enyl]cyclopentanone
Alternate Name(s) 3-[(3E)-2-(methylsulfanyl)-4-phenyl-3-butenyl]cyclopentanone
CAS Registry Number 139378-20-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20OS
InChI InChI=1S/C16H20OS/c1-18-16(12-14-7-9-15(17)11-14)10-8-13-5-3-2-4-6-13/h2-6,8,10,14,16H,7,9,11-12H2,1H3/b10-8+
InChIKey PHXZUTONRWPMEF-CSKARUKUSA-N
Molecular Weight 260.395 g/mol
SMILES C(\C=C\c1ccccc1)(CC1CC(=O)CC1)SC
SPLASH splash10-02t9-0950000000-14701bb49b87560f4b2d
Source of Spectrum J-57-2262-12
Wiley ID 1263971