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2-Methyl-6-[2-(phenylsulfinyl)-2-propenyl]cyclohexanone
SpectraBase Compound ID 8vnwc2wIX43
InChI InChI=1S/C16H20O2S/c1-12-7-6-8-14(16(12)17)11-13(2)19(18)15-9-4-3-5-10-15/h3-5,9-10,12,14H,2,6-8,11H2,1H3
InChIKey NBBJDTQPHTXRSD-UHFFFAOYSA-N
Mol Weight 276.39 g/mol
Molecular Formula C16H20O2S
Exact Mass 276.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9g74FeB6gFR
Name 2-Methyl-6-[2-(phenylsulfinyl)-2-propenyl]cyclohexanone
CAS Registry Number 90838-52-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O2S
InChI InChI=1S/C16H20O2S/c1-12-7-6-8-14(16(12)17)11-13(2)19(18)15-9-4-3-5-10-15/h3-5,9-10,12,14H,2,6-8,11H2,1H3
InChIKey NBBJDTQPHTXRSD-UHFFFAOYSA-N
Molecular Weight 276.394 g/mol
SMILES C(S(=O)c1ccccc1)(CC1C(=O)C(C)CCC1)=C
SPLASH splash10-004i-0290000000-b63d2581100392bca757
Source of Spectrum J-49-3137-0
Wiley ID 106451