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 Google Search
Mol Weight	471.55 g/mol
Molecular Formula	C22H21N3O5S2
Exact Mass	471.092263 g/mol

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SpectraBase Spectrum ID	8K91LgXPs2U
Name	3,3-DIMETHYL-7-OXO-6-[(p-TOLYLTHIO)IMINO]-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, p-NITROBENZYL ESTER
Source of Sample	E. M. Gordon, Bristol-Myers Squibb, Princeton, New Jersey
Copyright	Copyright © 1980, 1981-2025 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
Literature Reference	J. AMER. CHEM. SOC. 102, 1690(1980) Abstract-Chemical Abstracts= 92, 215369N(1980)
Melting Point	84-86C
Molecular Weight	471.545990
Synonyms	4-THIA-1-AZABICYCLO/3.2.0/HEPTANE- 2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO- 6-//P-TOLYLTHIO/IMINO/-, P-NITROBENZYL ESTER
Technique	KBr WAFER