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Benzenemethanol, .alpha.-[3-[(4-methoxyphenyl)sulfinyl]-2-propenyl]-, [R*,R*-(E)]-(.+-.)-
SpectraBase Compound ID DBUsLm7f3Pf
InChI InChI=1S/C17H18O3S/c1-20-15-9-11-16(12-10-15)21(19)13-5-8-17(18)14-6-3-2-4-7-14/h2-7,9-13,17-18H,8H2,1H3/b13-5+
InChIKey HQLVZMGHQXLQPR-WLRTZDKTSA-N
Mol Weight 302.39 g/mol
Molecular Formula C17H18O3S
Exact Mass 302.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ivWRu23ZbC
Name Benzenemethanol, .alpha.-[3-[(4-methoxyphenyl)sulfinyl]-2-propenyl]-, [R*,R*-(E)]-(.+-.)-
Alternate Name(s) (3E)-4-[(4-methoxyphenyl)sulfinyl]-1-phenyl-3-buten-1-ol (E)-1-Phenyl-4-(p-methoxyphenylsulfinyl)but-3-en-1-ol
CAS Registry Number 78012-60-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O3S
InChI InChI=1S/C17H18O3S/c1-20-15-9-11-16(12-10-15)21(19)13-5-8-17(18)14-6-3-2-4-7-14/h2-7,9-13,17-18H,8H2,1H3/b13-5+
InChIKey HQLVZMGHQXLQPR-WLRTZDKTSA-N
Molecular Weight 302.388 g/mol
SMILES OC(c1ccccc1)C\C=C\S(c1ccc(cc1)OC)=O
SPLASH splash10-002b-2900000000-9f9d2ce930cfdbd04f74
Source of Spectrum B-33-2646-0
Wiley ID 1304617