For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

6-[(2-azido-N-cyanoacetimidoyl)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-[(2-azido-N-cyanoacetimidoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3,2,0]heptane-2-carboxylic acid, hydroxymethyl ester, pivalate(ester)
SpectraBase Compound ID GSLfBoENKJK
InChI InChI=1S/C17H23N7O5S/c1-16(2,3)15(27)29-8-28-14(26)11-17(4,5)30-13-10(12(25)24(11)13)22-9(20-7-18)6-21-23-19/h10-11,13H,6,8H2,1-5H3,(H,20,22)/t10-,11+,13-/m1/s1
InChIKey GWMADXWKYRQTSK-NTZNESFSSA-N
Mol Weight 437.48 g/mol
Molecular Formula C17H23N7O5S
Exact Mass 437.148138 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3QElFP1GKcm
Name 6-[(2-AZIDO-N-CYANOACETIMIDOYL)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 C17H23N7O5S
InChI InChI=1S/C17H23N7O5S/c1-16(2,3)15(27)29-8-28-14(26)11-17(4,5)30-13-10(12(25)24(11)13)22-9(20-7-18)6-21-23-19/h10-11,13H,6,8H2,1-5H3,(H,20,22)/t10-,11+,13-/m1/s1
InChIKey GWMADXWKYRQTSK-NTZNESFSSA-N
Literature Reference J. MED. CHEM. 17, 101(1974)
Melting Point 85-86C
Molecular Weight 437.475006
Synonyms PENICILLANIC ACID, 6-//2-AZIDO- N-CYANOACETIMIDOYL/AMINO/-, HYDROXY- METHYL ESTER, PIVALATE /ESTER/ 4-THIA-1-AZABICYCLO/3.2.0/HEPTANE- 2-CARBOXYLIC ACID, 6-//2-AZIDO-N-CYANO ACETIMIDOYL/AMINO/-3,3-DIMETHYL-7-OXO- HYDROXYMETHYL ESTER, PIVALATE /ESTER/
Technique KBr WAFER