2,2,2-Trichloroethyl 3-(bromomethyl)-7-[(methoxycarbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5,5-dioxide

SpectraBase Compound ID	5yrL4tJ6Pxt
InChI	InChI=1S/C12H12BrCl3N2O7S/c1-24-11(21)17-6-8(19)18-7(10(20)25-4-12(14,15)16)5(2-13)3-26(22,23)9(6)18/h6,9H,2-4H2,1H3,(H,17,21)
InChIKey	KURCGTDSLGGGCG-UHFFFAOYSA-N Google Search
Mol Weight	514.56 g/mol
Molecular Formula	C12H12BrCl3N2O7S
Exact Mass	511.861418 g/mol

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SpectraBase Spectrum ID	EUSWE50eln0
Name	2,2,2-Trichloroethyl 3-(bromomethyl)-7-[(methoxycarbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5,5-dioxide
CAS Registry Number	97609-91-1
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H12BrCl3N2O7S
InChI	InChI=1S/C12H12BrCl3N2O7S/c1-24-11(21)17-6-8(19)18-7(10(20)25-4-12(14,15)16)5(2-13)3-26(22,23)9(6)18/h6,9H,2-4H2,1H3,(H,17,21)
InChIKey	KURCGTDSLGGGCG-UHFFFAOYSA-N
Molecular Weight	514.558 g/mol
SMILES	N(C1C2N(C(C(OCC(Cl)(Cl)Cl)=O)=C(CS2(=O)=O)CBr)C1=O)C(OC)=O
SPLASH	splash10-0cdi-0901100000-70578c8985435bd2ffce
Source of Spectrum	W5-1989-38581-26955
Synonyms	2,2,2-Trichloroethyl 7-methoxycarbonylamino-3-bromomethyl-3-cephem-4-carboxylate 1,1-dioxide 3-(bromomethyl)-7-(methoxycarbonylamino)-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2,2,2-trichloroethyl ester 2,2,2-trichloroethyl 3-(bromomethyl)-7-(methoxycarbonylamino)-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 2,2,2-tris(chloranyl)ethyl 3-(bromomethyl)-7-(methoxycarbonylamino)-5,5,8-tris(oxidanylidene)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Wiley ID	1400694