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3-Tridecanone, 1-(phenylthio)-

View entire compound with spectra: 1 MS (GC)

3-Tridecanone, 1-(phenylthio)-
SpectraBase Compound ID 1wnNx1QCuE5
InChI InChI=1S/C19H30OS/c1-2-3-4-5-6-7-8-10-13-18(20)16-17-21-19-14-11-9-12-15-19/h9,11-12,14-15H,2-8,10,13,16-17H2,1H3
InChIKey RPCBGFYFESACDK-UHFFFAOYSA-N
Mol Weight 306.51 g/mol
Molecular Formula C19H30OS
Exact Mass 306.201737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7FrrL1uK3ij
Name 3-Tridecanone, 1-(phenylthio)-
Alternate Name(s) 1-(Phenylsulfanyl)-3-tridecanone 1-Phenylthio-3-tridecanone
CAS Registry Number 106672-64-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30OS
InChI InChI=1S/C19H30OS/c1-2-3-4-5-6-7-8-10-13-18(20)16-17-21-19-14-11-9-12-15-19/h9,11-12,14-15H,2-8,10,13,16-17H2,1H3
InChIKey RPCBGFYFESACDK-UHFFFAOYSA-N
Molecular Weight 306.508 g/mol
SMILES C(=O)(CCSc1ccccc1)CCCCCCCCCC
SPLASH splash10-05g0-0903000000-dff648622804f612391d
Source of Spectrum AJ-60-308-29
Wiley ID 1308355