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2-([Diethoxycarbonyl][propylthio]-methylamino)-4 -nitro-thiobenzoic acid, S-propyl ester

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2-([Diethoxycarbonyl][propylthio]-methylamino)-4 -nitro-thiobenzoic acid, S-propyl ester
SpectraBase Compound ID EshTZGN3B9l
InChI InChI=1S/C20H28N2O7S2/c1-5-11-30-17(23)15-10-9-14(22(26)27)13-16(15)21-20(31-12-6-2,18(24)28-7-3)19(25)29-8-4/h9-10,13,21H,5-8,11-12H2,1-4H3
InChIKey LVRNEQNKGMWOMT-UHFFFAOYSA-N
Mol Weight 472.57 g/mol
Molecular Formula C20H28N2O7S2
Exact Mass 472.133794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KVuuZhS4VMb
Name 2-([Diethoxycarbonyl][propylthio]-methylamino)-4 -nitro-thiobenzoic acid, S-propyl ester
CAS Registry Number 128609-57-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H28N2O7S2
InChI InChI=1S/C20H28N2O7S2/c1-5-11-30-17(23)15-10-9-14(22(26)27)13-16(15)21-20(31-12-6-2,18(24)28-7-3)19(25)29-8-4/h9-10,13,21H,5-8,11-12H2,1-4H3
InChIKey LVRNEQNKGMWOMT-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference S. Wnuk, E. Wyrzykiewicz, E. Kaczmarek, Magn. Res. Chem. 28, 271 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3