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6b-Phthalimido-2a-nitromethyl-2b-methyl-penamic 3-acid, methyl ester
SpectraBase Compound ID 3xWHCQo9WCd
InChI InChI=1S/C17H15N3O7S/c1-17(7-18(25)26)11(16(24)27-2)20-14(23)10(15(20)28-17)19-12(21)8-5-3-4-6-9(8)13(19)22/h3-6,10-11,15H,7H2,1-2H3
InChIKey VMACPLIZFFAWJB-UHFFFAOYSA-N
Mol Weight 405.38 g/mol
Molecular Formula C17H15N3O7S
Exact Mass 405.063071 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BzDp5VXev1g
Name 6b-Phthalimido-2a-nitromethyl-2b-methyl-penamic 3-acid, methyl ester
CAS Registry Number 55450-55-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H15N3O7S
InChI InChI=1S/C17H15N3O7S/c1-17(7-18(25)26)11(16(24)27-2)20-14(23)10(15(20)28-17)19-12(21)8-5-3-4-6-9(8)13(19)22/h3-6,10-11,15H,7H2,1-2H3
InChIKey VMACPLIZFFAWJB-UHFFFAOYSA-N
Instrument Name Jeol PS-100
Literature Reference S. Kukolja, N.D. Jones, D.E. Dorman, J. Org. Chem. 40, 2388 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3