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6-[(N-cyano-2-phenylacetimidoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3,2,0]heptane-2-carboxylic acid, hydroxymethyl ester,pivalate(ester)

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 UV-Vis

6-[(N-cyano-2-phenylacetimidoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3,2,0]heptane-2-carboxylic acid, hydroxymethyl ester,pivalate(ester)
SpectraBase Compound ID 88fBxuc9Mtf
InChI InChI=1S/C23H28N4O5S/c1-22(2,3)21(30)32-13-31-20(29)17-23(4,5)33-19-16(18(28)27(17)19)26-15(25-12-24)11-14-9-7-6-8-10-14/h6-10,16-17,19H,11,13H2,1-5H3,(H,25,26)/t16-,17+,19-/m1/s1
InChIKey CHAODIGPTSXLPD-ZIFCJYIRSA-N
Mol Weight 472.56 g/mol
Molecular Formula C23H28N4O5S
Exact Mass 472.178041 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID CTXsx6pjFgr
Name 6-[(N-CYANO-2-PHENYLACETIMIDOYL)AMINO]-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, HYDROXYMETHYL ESTER, PIVALATE (ESTER)
Source of Sample H. J. PETERSEN, LEO PHARMACEUTICAL PRODUCTS, BALLERUP, DENMARK
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28N4O5S
InChI InChI=1S/C23H28N4O5S/c1-22(2,3)21(30)32-13-31-20(29)17-23(4,5)33-19-16(18(28)27(17)19)26-15(25-12-24)11-14-9-7-6-8-10-14/h6-10,16-17,19H,11,13H2,1-5H3,(H,25,26)/t16-,17+,19-/m1/s1
InChIKey CHAODIGPTSXLPD-ZIFCJYIRSA-N
Literature Reference J. MED. CHEM. 17, 101(1974)
Melting Point 163-164.5C
Molecular Weight 472.559998
Synonyms 4-THIA-1-AZABICYCLO/3.2.0/HEPTANE- 2-CARBOXYLIC ACID, 6-//N-CYANO- 2-PHENYLACETIMIDOYL/AMINO/-3,3-DI- METHYL-7-OXO-, HYDROXYMETHYL ESTER, PIVALATE /ESTER/ PENICILLANIC ACID, 6-//N-CYANO- 2-PHENYLACETIMIDOYL/AMINO/-, HYDROXY- METHYL ESTER, PIVALATE /ESTER/
Technique KBr WAFER