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4-p-Tolylsulfanyl-heptan-2-one

View entire compound with spectra: 1 MS (GC)

4-p-Tolylsulfanyl-heptan-2-one
SpectraBase Compound ID 7p67JrpbmrF
InChI InChI=1S/C14H20OS/c1-4-5-14(10-12(3)15)16-13-8-6-11(2)7-9-13/h6-9,14H,4-5,10H2,1-3H3
InChIKey PNXSYRIYDIBVDR-UHFFFAOYSA-N
Mol Weight 236.37 g/mol
Molecular Formula C14H20OS
Exact Mass 236.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A02a5fhXJIi
Name 4-p-Tolylsulfanyl-heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20OS
InChI InChI=1S/C14H20OS/c1-4-5-14(10-12(3)15)16-13-8-6-11(2)7-9-13/h6-9,14H,4-5,10H2,1-3H3
InChIKey PNXSYRIYDIBVDR-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c1gc15790f
Molecular Weight 236.373 g/mol
SMILES C(CC)C(CC(C)=O)Sc1ccc(cc1)C
SPLASH splash10-0076-9820000000-81ddbb14fcb05118c8db
Source of Spectrum GCH-13-3181/SMS9-20
Synonyms 4-(p-tolylthio)heptan-2-one
Wiley ID 1760692