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(2R,7R)-3-methyl-8-oxo-7-(2-phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, diphenylmethyl ester, 5,5-dioxide

View entire compound with spectra: 1 NMR, and 1 FTIR

(2R,7R)-3-methyl-8-oxo-7-(2-phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, diphenylmethyl ester, 5,5-dioxide
SpectraBase Compound ID ejGNgW1C01
InChI InChI=1S/C29H26N2O7S/c1-19-18-39(35,36)28-24(30-23(32)17-37-22-15-9-4-10-16-22)27(33)31(28)25(19)29(34)38-26(20-11-5-2-6-12-20)21-13-7-3-8-14-21/h2-16,24,26,28H,17-18H2,1H3,(H,30,32)/t24-,28-/m1/s1
InChIKey XAUKNPUNZCGQQM-UFHPHHKVSA-N
Mol Weight 546.59 g/mol
Molecular Formula C29H26N2O7S
Exact Mass 546.146072 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID EAsOyjfFdr9
Name (2R,7R)-3-METHYL-8-OXO-7-(2-PHENOXYACETAMIDO)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID, DIPHENYLMETHYL ESTER, 5,5-DIOXIDE
Source of Sample R. J. Stoodley, the University of Manchester, Manchester, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H26N2O7S
InChI InChI=1S/C29H26N2O7S/c1-19-18-39(35,36)28-24(30-23(32)17-37-22-15-9-4-10-16-22)27(33)31(28)25(19)29(34)38-26(20-11-5-2-6-12-20)21-13-7-3-8-14-21/h2-16,24,26,28H,17-18H2,1H3,(H,30,32)/t24-,28-/m1/s1
InChIKey XAUKNPUNZCGQQM-UFHPHHKVSA-N
Literature Reference J. CHEM. SOC., CHEM. COMMUN. 1986, 165 Abstract-Chemical Abstracts= 105, 42522P(1986)
Melting Point 197-198C
Molecular Weight 546.593994
Synonyms 5-THIA-1-AZABICYCLO/4.2.0/OCT-2-ENE- 2-CARBOXYLIC ACID, 3-METHYL-8-OXO- 7-/2-PHENOXYACETAMIDO/-, DIPHENYLMETHYL ESTER, 5,5-DIOXIDE, /2R,7R/-,
Technique KBr WAFER