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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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Dlg0p8gJ1ku
Name Aristolochic Acid I
Source of Sample Sigma-Aldrich Company LLC
Catalog Number A5512
Lot Number 031M1922V
Apodization Function Triangular
CAS Registry Number 313-67-7
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. 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 Bio-Rad FTS
SMILES OC(c1c2c(cc3c(cccc3c2c2c(c1)OCO2)OC)N(=O)=O)=O
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Technique KBr0