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(E)-4-(2-chlorophenyl)-3-[(S)-(4-methylphenyl)sulfinyl]-3-buten-2-one
SpectraBase Compound ID 5MLzlyRzFEe
InChI InChI=1S/C17H15ClO2S/c1-12-7-9-15(10-8-12)21(20)17(13(2)19)11-14-5-3-4-6-16(14)18/h3-11H,1-2H3/b17-11+
InChIKey BHHMUBLOOSVBMF-GZTJUZNOSA-N
Mol Weight 318.82 g/mol
Molecular Formula C17H15ClO2S
Exact Mass 318.048129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2JlTyAwJYDc
Name (E)-4-(2-chlorophenyl)-3-[(S)-(4-methylphenyl)sulfinyl]-3-buten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15ClO2S
InChI InChI=1S/C17H15ClO2S/c1-12-7-9-15(10-8-12)21(20)17(13(2)19)11-14-5-3-4-6-16(14)18/h3-11H,1-2H3/b17-11+
InChIKey BHHMUBLOOSVBMF-GZTJUZNOSA-N
Molecular Weight 318.818 g/mol
SMILES c1([S@@](\C(=C\c2c(Cl)cccc2)C(=O)C)=O)ccc(cc1)C
SPLASH splash10-0006-8980000000-65946e6f472c9d7ee609
Source of Spectrum F-53-4285-4
Synonyms (E)-4-(2-chlorophenyl)-3-[(S)-(4-methylphenyl)sulfinyl]but-3-en-2-one (E)-4-(2-chlorophenyl)-3-[(S)-p-tolylsulfinyl]but-3-en-2-one
Wiley ID 801253