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7-(2-CYANOACETAMIDO)-3-(HYDROXYMETHYL)-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID, DIPHENYLMETHYL ESTER, ACETATE (ESTER)
SpectraBase Compound ID 5Lf0uTmvlwg
InChI InChI=1S/C26H23N3O6S/c1-16(30)34-14-19-15-36-25-21(28-20(31)12-13-27)24(32)29(25)22(19)26(33)35-23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,21,23,25H,12,14-15H2,1H3,(H,28,31)/t21-,25-/m1/s1
InChIKey RZXGOBIDZLDJRB-PXDATVDWSA-N
Mol Weight 505.55 g/mol
Molecular Formula C26H23N3O6S
Exact Mass 505.130757 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID DvF6EO5um8O
Name 7-(2-CYANOACETAMIDO)-3-(HYDROXYMETHYL)-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID, DIPHENYLMETHYL ESTER, ACETATE (ESTER)
Source of Sample T. Kametani, Hoshi University, Tokyo, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23N3O6S
InChI InChI=1S/C26H23N3O6S/c1-16(30)34-14-19-15-36-25-21(28-20(31)12-13-27)24(32)29(25)22(19)26(33)35-23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,21,23,25H,12,14-15H2,1H3,(H,28,31)/t21-,25-/m1/s1
InChIKey RZXGOBIDZLDJRB-PXDATVDWSA-N
Literature Reference HETEROCYCLES 20, 1577(1983) Abstract-Chemical Abstracts= 99, 139586(1983)
Molecular Weight 505.545013
Synonyms 5-THIA-1-AZABICYCLO/4.2.0/OCT-2-ENE- 2-CARBOXYLIC ACID, 7-/2-CYANOACET- AMIDO/-3-/HYDROXYMETHYL/-8-OXO-, DI- PHENYLMETHYL ESTER, ACETATE /ESTER/ CEPHALOSPORANIC ACID, 7-/2-CYANO- ACETAMIDO/-, DIPHENYLMETHYL ESTER
Technique KBr WAFER