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2-([Diethoxycarbonyl][ethylthio]-methylamino)-4, 6-dinitro-thiobenzoic acid, S-ethyl ester
SpectraBase Compound ID FkvDZTCBmoy
InChI InChI=1S/C18H23N3O9S2/c1-5-29-16(23)18(32-8-4,17(24)30-6-2)19-12-9-11(20(25)26)10-13(21(27)28)14(12)15(22)31-7-3/h9-10,19H,5-8H2,1-4H3
InChIKey IHVGIUOMVJQAOF-UHFFFAOYSA-N
Mol Weight 489.51 g/mol
Molecular Formula C18H23N3O9S2
Exact Mass 489.087572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EbkpfkwrvB0
Name 2-([Diethoxycarbonyl][ethylthio]-methylamino)-4, 6-dinitro-thiobenzoic acid, S-ethyl ester
CAS Registry Number 128609-51-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H23N3O9S2
InChI InChI=1S/C18H23N3O9S2/c1-5-29-16(23)18(32-8-4,17(24)30-6-2)19-12-9-11(20(25)26)10-13(21(27)28)14(12)15(22)31-7-3/h9-10,19H,5-8H2,1-4H3
InChIKey IHVGIUOMVJQAOF-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