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

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6-[(N-cyanoformimidoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3,2,0]heptane-2-carboxylic acid, hydroxymethyl ester, pivalate(ester)
SpectraBase Compound ID 6xAmmTTzP9J
InChI InChI=1S/C16H22N4O5S/c1-15(2,3)14(23)25-8-24-13(22)10-16(4,5)26-12-9(11(21)20(10)12)19-7-18-6-17/h7,9-10,12H,8H2,1-5H3,(H,18,19)/t9-,10+,12-/m1/s1
InChIKey CVPNVHPHIDHYSF-JFGNBEQYSA-N
Mol Weight 382.44 g/mol
Molecular Formula C16H22N4O5S
Exact Mass 382.131091 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID LdTXml0nmQl
Name 6-[(N-CYANOFORMIMIDOYL)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 C16H22N4O5S
InChI InChI=1S/C16H22N4O5S/c1-15(2,3)14(23)25-8-24-13(22)10-16(4,5)26-12-9(11(21)20(10)12)19-7-18-6-17/h7,9-10,12H,8H2,1-5H3,(H,18,19)/t9-,10+,12-/m1/s1
InChIKey CVPNVHPHIDHYSF-JFGNBEQYSA-N
Literature Reference J. MED. CHEM. 17, 101(1974)
Melting Point 159.5-160.5C (dec.)
Molecular Weight 382.434998
Synonyms 4-THIA-1-AZABICYCLO/3.2.O/HEPTANE- 2-CARBOXYLIC ACID, 6-//N-CYANOFORMIMID OYL/AMINO/-3,3-DIMETHYL-7-OXO-, HYDROXYMETHYL ESTER, PIVALATE /ESTER/ PENICILLANIC ACID, 6-//N-CYANO- FORMIMIDOYL/AMINO/-, HYDROXYMETHYL ESTER, PIVALATE /ESTER/
Technique KBr WAFER