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

SpectraBase Compound ID	JnIDRrrVKHR
InChI	InChI=1S/C14H15Cl3N2O9S/c1-6(20)27-3-7-4-29(24,25)11-8(18-13(23)26-2)10(21)19(11)9(7)12(22)28-5-14(15,16)17/h8,11H,3-5H2,1-2H3,(H,18,23)
InChIKey	ARELYBZDDCTUFK-UHFFFAOYSA-N Google Search
Mol Weight	493.7 g/mol
Molecular Formula	C14H15Cl3N2O9S
Exact Mass	491.956384 g/mol

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SpectraBase Spectrum ID	IshW6sVkEsM
Name	2,2,2-Trichloroethyl 3-[(acetyloxy)methyl]-7-[(methoxycarbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5,5-dioxide
CAS Registry Number	97609-98-8
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C14H15Cl3N2O9S
InChI	InChI=1S/C14H15Cl3N2O9S/c1-6(20)27-3-7-4-29(24,25)11-8(18-13(23)26-2)10(21)19(11)9(7)12(22)28-5-14(15,16)17/h8,11H,3-5H2,1-2H3,(H,18,23)
InChIKey	ARELYBZDDCTUFK-UHFFFAOYSA-N
Molecular Weight	493.698 g/mol
SMILES	N(C1C(=O)N2C1S(CC(=C2C(=O)OCC(Cl)(Cl)Cl)COC(=O)C)(=O)=O)C(OC)=O
SPLASH	splash10-00or-0920000000-7aa562815a49e6103964
Source of Spectrum	W5-1989-38576-26960
Synonyms	2,2,2-Trichloroethyl 3-acetoxymethyl-7-methoxycarbonylamino-3-cephem-4-carboxylate 1,1-dioxide 3-(acetyloxymethyl)-7-(methoxycarbonylamino)-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2,2,2-trichloroethyl ester 2,2,2-trichloroethyl 3-(acetyloxymethyl)-7-(methoxycarbonylamino)-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 2,2,2-trichloroethyl 3-(acetoxymethyl)-7-(methoxycarbonylamino)-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 2,2,2-tris(chloranyl)ethyl 3-(acetyloxymethyl)-7-(methoxycarbonylamino)-5,5,8-tris(oxidanylidene)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Wiley ID	1397462