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Aristolochic Acid I

View entire compound with spectra: 4 NMR, 2 FTIR, and 5 MS (GC)

Aristolochic Acid I
SpectraBase Compound ID ExcDwLUhL7I
InChI InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)
InChIKey BBFQZRXNYIEMAW-UHFFFAOYSA-N
Mol Weight 341.28 g/mol
Molecular Formula C17H11NO7
Exact Mass 341.053552 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ZrZ5cJeJGh
Name 8-Methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid
CAS Registry Number 313-67-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H11NO7
InChI InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)
InChIKey BBFQZRXNYIEMAW-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference B. Achari, S.C. Pakrashi, Org. Magn. Resonance 22, 741 (1984).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6