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(E)-2-(3-(Phenylthio)allyl)cycloheptanone

View entire compound with spectra: 1 MS (GC)

(E)-2-(3-(Phenylthio)allyl)cycloheptanone
SpectraBase Compound ID Jam5J50P702
InChI InChI=1S/C16H20OS/c17-16-12-6-1-3-8-14(16)9-7-13-18-15-10-4-2-5-11-15/h2,4-5,7,10-11,13-14H,1,3,6,8-9,12H2/b13-7+
InChIKey XIQYPHHDLVSMTI-NTUHNPAUSA-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 95GFnpXj6f5
Name (E)-2-(3-(Phenylthio)allyl)cycloheptanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20OS
InChI InChI=1S/C16H20OS/c17-16-12-6-1-3-8-14(16)9-7-13-18-15-10-4-2-5-11-15/h2,4-5,7,10-11,13-14H,1,3,6,8-9,12H2/b13-7+
InChIKey XIQYPHHDLVSMTI-NTUHNPAUSA-N
Literature Reference DOI 10.1021/ol901818j
Molecular Weight 260.395 g/mol
SMILES C1CC(C(C\C=C\Sc2ccccc2)CCC1)=O
SPLASH splash10-0udi-0920000000-0214c6ac87987085848b
Source of Spectrum A1-11-4576/SMS8-16
Wiley ID 1757481