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2,2,2-Trichloroethyl 7-[(methoxycarbonyl)amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5,5-dioxide
SpectraBase Compound ID LDxiXlQn19k
InChI InChI=1S/C13H15Cl3N2O8S/c1-24-3-6-4-27(22,23)10-7(17-12(21)25-2)9(19)18(10)8(6)11(20)26-5-13(14,15)16/h7,10H,3-5H2,1-2H3,(H,17,21)
InChIKey LRGUNVGGSISJON-UHFFFAOYSA-N
Mol Weight 465.69 g/mol
Molecular Formula C13H15Cl3N2O8S
Exact Mass 463.96147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JskLwMdRqy3
Name 2,2,2-Trichloroethyl 7-[(methoxycarbonyl)amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5,5-dioxide
CAS Registry Number 97609-96-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15Cl3N2O8S
InChI InChI=1S/C13H15Cl3N2O8S/c1-24-3-6-4-27(22,23)10-7(17-12(21)25-2)9(19)18(10)8(6)11(20)26-5-13(14,15)16/h7,10H,3-5H2,1-2H3,(H,17,21)
InChIKey LRGUNVGGSISJON-UHFFFAOYSA-N
Molecular Weight 465.688 g/mol
SMILES N(C1C2N(C(C(OCC(Cl)(Cl)Cl)=O)=C(CS2(=O)=O)COC)C1=O)C(OC)=O
SPLASH splash10-0002-0900000000-28165ad82f019a3dfe7b
Source of Spectrum W5-1989-38577-26959
Synonyms 2,2,2-Trichloroethyl 7-methoxycarbonylamino-3-methoxymethyl-3-cephem-4-carboxylate 1,1-dioxide 7-(methoxycarbonylamino)-3-(methoxymethyl)-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2,2,2-trichloroethyl ester 2,2,2-trichloroethyl 7-(methoxycarbonylamino)-3-(methoxymethyl)-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 2,2,2-tris(chloranyl)ethyl 7-(methoxycarbonylamino)-3-(methoxymethyl)-5,5,8-tris(oxidanylidene)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Wiley ID 1391363