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(Z)-(3S)-3-Phenyl-3-(tert-butoxycarbonylamino)-1-(4'-tolylthio)-1-nitroprop-1-ene
SpectraBase Compound ID 85HyVLQhvw
InChI InChI=1S/C21H24N2O4S/c1-15-10-12-17(13-11-15)28-19(23(25)26)14-18(16-8-6-5-7-9-16)22-20(24)27-21(2,3)4/h5-14,18H,1-4H3,(H,22,24)/b19-14-/t18-/m0/s1
InChIKey MHJMDQJOKOVAOO-OWBBTNHHSA-N
Mol Weight 400.49 g/mol
Molecular Formula C21H24N2O4S
Exact Mass 400.145678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 27D4UmVtKbI
Name (Z)-(3S)-3-Phenyl-3-(tert-butoxycarbonylamino)-1-(4'-tolylthio)-1-nitroprop-1-ene
Alternate Name(s) tert-Butyl (1S,2Z)-3-[(4-methylphenyl)sulfanyl]-3-nitro-1-phenyl-2-propenylcarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O4S
InChI InChI=1S/C21H24N2O4S/c1-15-10-12-17(13-11-15)28-19(23(25)26)14-18(16-8-6-5-7-9-16)22-20(24)27-21(2,3)4/h5-14,18H,1-4H3,(H,22,24)/b19-14-/t18-/m0/s1
InChIKey MHJMDQJOKOVAOO-OWBBTNHHSA-N
Molecular Weight 400.493 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@](\C=C\(N(=O)=O)Sc1ccc(cc1)C)(c1ccccc1)[H]
SPLASH splash10-05fr-9710000000-5d80aa969c662b60d6e5
Source of Spectrum CV-2002-2302-9
Wiley ID 1610366