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Aristolochic Acid III Methyl Ester
SpectraBase Compound ID 8owne93ARyt
InChI InChI=1S/C18H13NO7/c1-23-13-5-3-4-9-10(13)6-12(19(21)22)15-11(18(20)24-2)7-14-17(16(9)15)26-8-25-14/h3-7H,8H2,1-2H3
InChIKey RZUABJWVTLHGHJ-UHFFFAOYSA-N
Mol Weight 355.3 g/mol
Molecular Formula C18H13NO7
Exact Mass 355.069202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fZpalGf26
Name Aristolochic acid I methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13NO7
InChI InChI=1S/C18H13NO7/c1-23-13-5-3-4-9-10(13)6-12(19(21)22)15-11(18(20)24-2)7-14-17(16(9)15)26-8-25-14/h3-7H,8H2,1-2H3
InChIKey RZUABJWVTLHGHJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200700187
Molecular Weight 355.302 g/mol
SMILES c12cc(c3c(c2OCO1)c1c(cc3[N+]([O-])=O)c(ccc1)OC)C(OC)=O
SPLASH splash10-054o-7597000000-0c478ae7883a087e8787
Source of Spectrum QA-54-1331-11
Synonyms Methyl 8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylate
Wiley ID 1796330