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3-Hexanone, 2,5-dimethyl-4-(phenylthio)-
SpectraBase Compound ID 9wAtoi7oBFM
InChI InChI=1S/C14H20OS/c1-10(2)13(15)14(11(3)4)16-12-8-6-5-7-9-12/h5-11,14H,1-4H3
InChIKey QFVOSOMUDNSIJA-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 C75jcjMnnG3
Name 3-Hexanone, 2,5-dimethyl-4-(phenylthio)-
CAS Registry Number 88065-29-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20OS
InChI InChI=1S/C14H20OS/c1-10(2)13(15)14(11(3)4)16-12-8-6-5-7-9-12/h5-11,14H,1-4H3
InChIKey QFVOSOMUDNSIJA-UHFFFAOYSA-N
Molecular Weight 236.373 g/mol
SMILES C(C(=O)C(C)C)(Sc1ccccc1)C(C)C
SPLASH splash10-01b9-0910000000-18534b0c482134ef3ede
Source of Spectrum KC-1985-1241-16
Synonyms 2,5-Dimethyl-4-(phenylthio)-3-hexanone 2,5-Dimethyl-4-phenylsulfanylhexan-3-one 2,5-Dimethyl-4-phenylsulfanyl-hexan-3-one
Wiley ID 1238295