For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-([T-Butylthio][diethoxycarbonyl]-methylamino)- 4,6-dinitro-thiobenzoic acid, S-tert-butyl ester
SpectraBase Compound ID JMeoiI10XY6
InChI InChI=1S/C22H31N3O9S2/c1-9-33-18(27)22(19(28)34-10-2,36-21(6,7)8)23-14-11-13(24(29)30)12-15(25(31)32)16(14)17(26)35-20(3,4)5/h11-12,23H,9-10H2,1-8H3
InChIKey PDAKDDWWFJYMMT-UHFFFAOYSA-N
Mol Weight 545.62 g/mol
Molecular Formula C22H31N3O9S2
Exact Mass 545.150172 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2hgtLnzDGjA
Name 2-([T-Butylthio][diethoxycarbonyl]-methylamino)- 4,6-dinitro-thiobenzoic acid, S-tert-butyl ester
CAS Registry Number 128609-54-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H31N3O9S2
InChI InChI=1S/C22H31N3O9S2/c1-9-33-18(27)22(19(28)34-10-2,36-21(6,7)8)23-14-11-13(24(29)30)12-15(25(31)32)16(14)17(26)35-20(3,4)5/h11-12,23H,9-10H2,1-8H3
InChIKey PDAKDDWWFJYMMT-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