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3,3-dimethyl-7-oxo-6-[(p-tolylthio)imino]-4-thia-1-azabicyclo[3,2,0]heptane-2-carboxylic acid, p-nitrobenzyl ester

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3,3-dimethyl-7-oxo-6-[(p-tolylthio)imino]-4-thia-1-azabicyclo[3,2,0]heptane-2-carboxylic acid, p-nitrobenzyl ester
SpectraBase Compound ID 5VnftA2ygwp
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+/t18-,20+/m1/s1
InChIKey LUMBOEUYOUTSOP-PMIIVDBNSA-N
Mol Weight 471.55 g/mol
Molecular Formula C22H21N3O5S2
Exact Mass 471.092263 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LrzmOM2soKJ
Name 3,3-dimethyl-7-oxo-6-[(p-tolylthio)imino]-4-thia-1-azabicyclo[3,2,0]heptane-2-carboxylic acid, p-nitrobenzyl ester
Copyright Copyright © 2009-2025 John Wiley & Sons, Inc. 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+/t18-,20+/m1/s1
InChIKey LUMBOEUYOUTSOP-PMIIVDBNSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 43177M
Solvent CDCl3