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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPXPNAMznIj
Name 3,4-Methylenedioxy-8-methoxy-10-nitro-1-phenanthrenecarboxylic acid
CAS Registry Number 313-67-7
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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
Molecular Weight 341.275 g/mol
SMILES OC(=O)c1cc2c(c3c1c(N(=O)=O)cc1c(cccc31)OC)OCO2
SPLASH splash10-0002-9650000000-74215228fcebc72efbca
Source of Spectrum AD-0-531-0
Synonyms Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro- 8-Methoxy-3,4-methylendioxxy-10-nitro-1-phenanthrencarbonsaeure 8-Methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid 8-Methoxy-3,4-methylenedioxy-10-nitrophenanthrene-1-carboxylic acid Aristolochic acid A 8-Methoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid 8-Methoxy-6-nitrophenanthol (3,4-d) 1,3-dioxole-5-carboxylic acid Aristolochic acid I Aristolochiazaeure Aristolochic acid Aristolochin Aristolochine Birthwort Phenanthro[3,4-d]-1,3-dioxole-5-carBOCylic acid, 8-methoxy-6-nitro- Tardolyt BRN 0345159 CCRIS 1544 EINECS 206-238-3 NSC 11926 TR 1736
Wiley ID 50813