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2-[2-(Phenylsulfinyl)-2-propenyl]cycloheptanone
SpectraBase Compound ID 3tE7RXQpwFx
InChI InChI=1S/C16H20O2S/c1-13(19(18)15-9-5-3-6-10-15)12-14-8-4-2-7-11-16(14)17/h3,5-6,9-10,14H,1-2,4,7-8,11-12H2
InChIKey ZQQYZONIRIUTAF-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 8ieYXvt0vaj
Name 2-[2-(Phenylsulfinyl)-2-propenyl]cycloheptanone
CAS Registry Number 90838-51-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O2S
InChI InChI=1S/C16H20O2S/c1-13(19(18)15-9-5-3-6-10-15)12-14-8-4-2-7-11-16(14)17/h3,5-6,9-10,14H,1-2,4,7-8,11-12H2
InChIKey ZQQYZONIRIUTAF-UHFFFAOYSA-N
Molecular Weight 276.394 g/mol
SMILES C(S(=O)c1ccccc1)(CC1C(=O)CCCCC1)=C
SPLASH splash10-0fb9-0980000000-05e6c2684ef429f4d477
Source of Spectrum J-49-3137-0
Wiley ID 132996