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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 H4fQlm49La6
Name 2-(Phenylsulfanyl)cyclooctanone
Alternate Name(s) 2-(Phenylthio)-1-cyclooctanone 2-(Phenylthio)cyclooctanone 2-Phenylsulfanylcyclooctan-1-one
CAS Registry Number 125334-74-9
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
Molecular Weight 234.357 g/mol
SMILES C1(Sc2ccccc2)C(=O)CCCCCC1
SPLASH splash10-0bt9-9730000000-052f35adf2f3e150bc73
Source of Spectrum KC-1989-306-11
Wiley ID 1236058