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(Z)-3-((2R,3S)-2-Benzenesulfonyl-2-cyano-3-phenyl-cyclopropyl)-acrylic acid methyl ester
SpectraBase Compound ID 2hC1Q2dBUqm
InChI InChI=1S/C20H17NO4S/c1-25-18(22)13-12-17-19(15-8-4-2-5-9-15)20(17,14-21)26(23,24)16-10-6-3-7-11-16/h2-13,17,19H,1H3/b13-12-/t17?,19-,20-/m1/s1
InChIKey DIGYYYYSDJGHNI-BRRYULJVSA-N
Mol Weight 367.42 g/mol
Molecular Formula C20H17NO4S
Exact Mass 367.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BlSll142egi
Name (Z)-3-((2R,3S)-2-Benzenesulfonyl-2-cyano-3-phenyl-cyclopropyl)-acrylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17NO4S
InChI InChI=1S/C20H17NO4S/c1-25-18(22)13-12-17-19(15-8-4-2-5-9-15)20(17,14-21)26(23,24)16-10-6-3-7-11-16/h2-13,17,19H,1H3/b13-12-/t17?,19-,20-/m1/s1
InChIKey DIGYYYYSDJGHNI-BRRYULJVSA-N
Molecular Weight 367.419 g/mol
SMILES [C@]1(S(=O)(=O)c2ccccc2)(C(\C=C/C(=O)OC)[C@]1(c1ccccc1)[H])C#N
SPLASH splash10-0aou-0439000000-8f7a523e040534e39725
Source of Spectrum C3-33-1137-3c
Synonyms Methyl 3-[(3S,1R,2R)-2'-cyano-2'-(phenylsulfonyl)-3'-phenylcyclopropyl]-(2 Z)-prop-2-enoate
Wiley ID 1696336