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

*Links on SpectraBase are not permalinks.

D-6-(5-AMINO-5-CARBOXYVALERAMIDO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID

View entire compound with spectra: 2 NMR

D-6-(5-AMINO-5-CARBOXYVALERAMIDO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
SpectraBase Compound ID 96gFlXEaDl3
InChI InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)
InChIKey MIFYHUACUWQUKT-UHFFFAOYSA-N
Mol Weight 359.4 g/mol
Molecular Formula C14H21N3O6S
Exact Mass 359.115107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 7Twh7OpIikK
Name Penicillin N
CAS Registry Number 525-94-0
Comments POSSIBLY PROTONATED ON NITROGEN
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H21N3O6S
InChI InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)
InChIKey MIFYHUACUWQUKT-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference H. Kluender. C.H. Bradley, J. Am. Chem. Soc. 95, 6149 (1973).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent H2O