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Benzenemethanol, .alpha.-[3-[(4-methylphenyl)sulfinyl]-2-propenyl]-2-nitro-, [R*,R*-(E)]-
SpectraBase Compound ID 71EIojOzIbd
InChI InChI=1S/C17H17NO4S/c1-13-8-10-14(11-9-13)23(22)12-4-7-17(19)15-5-2-3-6-16(15)18(20)21/h2-6,8-12,17,19H,7H2,1H3/b12-4+
InChIKey IDRXTDWLKUTESX-UUILKARUSA-N
Mol Weight 331.39 g/mol
Molecular Formula C17H17NO4S
Exact Mass 331.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jbJWaOp8Vn
Name Benzenemethanol, .alpha.-[3-[(4-methylphenyl)sulfinyl]-2-propenyl]-2-nitro-, [R*,R*-(E)]-
CAS Registry Number 87448-30-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO4S
InChI InChI=1S/C17H17NO4S/c1-13-8-10-14(11-9-13)23(22)12-4-7-17(19)15-5-2-3-6-16(15)18(20)21/h2-6,8-12,17,19H,7H2,1H3/b12-4+
InChIKey IDRXTDWLKUTESX-UUILKARUSA-N
Molecular Weight 331.386 g/mol
SMILES OC(c1c(N(=O)=O)cccc1)C\C=C\S(c1ccc(cc1)C)=O
SPLASH splash10-001l-9700000000-2fa1aeed1f78e2f12dad
Source of Spectrum B-36-1054-0
Synonyms Benzenemethanol, .alpha.-[1-[(4-methylphenyl)sulfinyl]-2-propenyl]-2-nitro-, [.alpha.R*[R*(S*)]]- (3E)-4-[(4-methylphenyl)sulfinyl]-1-(2-nitrophenyl)-3-buten-1-ol (E)-1-(o-Nitrophenyl)-4-(p-methylbenzenesulfinyl)but-3-en-1-ol
Wiley ID 1328620