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(Z)-(3S)-4-Phenyl-3-(tert-butoxycarbonylamino)-1-(4'-tolylthio)-1-nitrobut-1-ene
SpectraBase Compound ID 3nKaVPSDza2
InChI InChI=1S/C22H26N2O4S/c1-16-10-12-19(13-11-16)29-20(24(26)27)15-18(14-17-8-6-5-7-9-17)23-21(25)28-22(2,3)4/h5-13,15,18H,14H2,1-4H3,(H,23,25)/b20-15-/t18-/m0/s1
InChIKey YHFUKTMQXITPTM-BAOGPQIGSA-N
Mol Weight 414.52 g/mol
Molecular Formula C22H26N2O4S
Exact Mass 414.161328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zIWscrqksU
Name (Z)-(3S)-4-Phenyl-3-(tert-butoxycarbonylamino)-1-(4'-tolylthio)-1-nitrobut-1-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26N2O4S
InChI InChI=1S/C22H26N2O4S/c1-16-10-12-19(13-11-16)29-20(24(26)27)15-18(14-17-8-6-5-7-9-17)23-21(25)28-22(2,3)4/h5-13,15,18H,14H2,1-4H3,(H,23,25)/b20-15-/t18-/m0/s1
InChIKey YHFUKTMQXITPTM-BAOGPQIGSA-N
Molecular Weight 414.520 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](\C=C\(N(=O)=O)Sc1ccc(cc1)C)(Cc1ccccc1)[H]
SPLASH splash10-0avl-9420000000-65d2df8a366dff1ed5e3
Source of Spectrum CV-2002-2302-9
Synonyms tert-Butyl (1S,2Z)-1-benzyl-3-[(4-methylphenyl)sulfanyl]-3-nitro-2-propenylcarbamate
Wiley ID 1610367