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2-(Phenylsulfanyl)cyclooctanone

View entire compound with spectra: 2 MS (GC)

2-(Phenylsulfanyl)cyclooctanone
SpectraBase Compound ID 5iwcGDzQfwS
InChI InChI=1S/C14H18OS/c15-13-10-6-1-2-7-11-14(13)16-12-8-4-3-5-9-12/h3-5,8-9,14H,1-2,6-7,10-11H2
InChIKey MYVQUNZHRGJFDJ-UHFFFAOYSA-N
Mol Weight 234.36 g/mol
Molecular Formula C14H18OS
Exact Mass 234.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38n6xhKjYp4
Name 2-Phenylsulfanyl-cyclooctanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18OS
InChI InChI=1S/C14H18OS/c15-13-10-6-1-2-7-11-14(13)16-12-8-4-3-5-9-12/h3-5,8-9,14H,1-2,6-7,10-11H2
InChIKey MYVQUNZHRGJFDJ-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5RA17913K
Molecular Weight 234.357 g/mol
SMILES C1(C(CCCCCC1)Sc1ccccc1)=O
SPLASH splash10-01q9-2960000000-d188d5f05c6c97e3c144
Source of Spectrum RSA-5-96701-4h
Synonyms 2-(Phenylthio)cyclooctan-1-one
Wiley ID 1802716