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5-Hepten-2-one, 3,6-dimethyl-3-(phenylthio)-
SpectraBase Compound ID G9p1qwDrN7B
InChI InChI=1S/C15H20OS/c1-12(2)10-11-15(4,13(3)16)17-14-8-6-5-7-9-14/h5-10H,11H2,1-4H3
InChIKey YLNDHERKNOAYNK-UHFFFAOYSA-N
Mol Weight 248.38 g/mol
Molecular Formula C15H20OS
Exact Mass 248.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dp7W3S9Mlj
Name 5-Hepten-2-one, 3,6-dimethyl-3-(phenylthio)-
CAS Registry Number 66032-84-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20OS
InChI InChI=1S/C15H20OS/c1-12(2)10-11-15(4,13(3)16)17-14-8-6-5-7-9-14/h5-10H,11H2,1-4H3
InChIKey YLNDHERKNOAYNK-UHFFFAOYSA-N
Molecular Weight 248.384 g/mol
SMILES C(Sc1ccccc1)(C(=O)C)(CC=C(C)C)C
SPLASH splash10-052f-9600000000-ced872e5a0c7caf3a004
Source of Spectrum H-61-86-0
Synonyms 3,6-Dimethyl-3-(phenylsulfanyl)-5-hepten-2-one 3,6-Dimethyl-3-phenylthio-5-hepten-2-one
Wiley ID 1251223