For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(S,E)-3-(p-Tolylsulfinyl)pent-3-en-2-one
SpectraBase Compound ID 3bZATZe3tyU
InChI InChI=1S/C12H14O2S/c1-4-12(10(3)13)15(14)11-7-5-9(2)6-8-11/h4-8H,1-3H3/b12-4+
InChIKey QMKWYEVAYRBMIX-UUILKARUSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8UL8f7fKnWS
Name (E)-3-[(S)-(4-methylphenyl)sulfinyl]-3-penten-2-one
Alternate Name(s) (E)-3-[(S)-(4-methylphenyl)sulfinyl]pent-3-en-2-one (E)-3-[(S)-p-tolylsulfinyl]pent-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-4-12(10(3)13)15(14)11-7-5-9(2)6-8-11/h4-8H,1-3H3/b12-4+
InChIKey QMKWYEVAYRBMIX-UUILKARUSA-N
Molecular Weight 222.302 g/mol
SMILES c1([S@@](\C(C(=O)C)=C/C)=O)ccc(cc1)C
SPLASH splash10-000f-9620000000-55746eb043e4ba480cde
Source of Spectrum F-53-4287-4
Wiley ID 801247