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3,3-Dimethyl-6-(4-tolylthio)imino-7-oxo-4-thia-1-aza-bicyclo(3.2.0)heptane-2-carboxylic acid, 4-nitro-benzyl ester
SpectraBase Compound ID 8so8afbJ2Nu
InChI InChI=1S/C22H21N3O5S2/c1-13-4-10-16(11-5-13)32-23-17-19(26)24-18(22(2,3)31-20(17)24)21(27)30-12-14-6-8-15(9-7-14)25(28)29/h4-11,18,20H,12H2,1-3H3/b23-17-
InChIKey LUMBOEUYOUTSOP-QJOMJCCJSA-N
Mol Weight 471.55 g/mol
Molecular Formula C22H21N3O5S2
Exact Mass 471.092263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9yOndTbwOXP
Name 3,3-Dimethyl-6-(4-tolylthio)imino-7-oxo-4-thia-1-aza-bicyclo(3.2.0)heptane-2-carboxylic acid, 4-nitro-benzyl ester
CAS Registry Number 73707-59-2
Comments *2S-(2A,5A)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H21N3O5S2
InChI InChI=1S/C22H21N3O5S2/c1-13-4-10-16(11-5-13)32-23-17-19(26)24-18(22(2,3)31-20(17)24)21(27)30-12-14-6-8-15(9-7-14)25(28)29/h4-11,18,20H,12H2,1-3H3/b23-17-
InChIKey LUMBOEUYOUTSOP-QJOMJCCJSA-N
Instrument Name Varian XL-100
Literature Reference E.M. Gordon, H.W. Chang, C.M. Cimarusti, J. Am. Chem. Soc. 102, 1690 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3