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6-Carboxy-3'-nitroflavonol
SpectraBase Compound ID IMRbhedxAql
InChI InChI=1S/C16H9NO7/c18-13-11-7-9(16(20)21)4-5-12(11)24-15(14(13)19)8-2-1-3-10(6-8)17(22)23/h1-7,19H,(H,20,21)
InChIKey XSUPIVYAFIPKTM-UHFFFAOYSA-N
Mol Weight 327.25 g/mol
Molecular Formula C16H9NO7
Exact Mass 327.037902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHniRXiEI9l
Name 6-Carboxy-3'-nitroflavonol
Alternate Name(s) 3-Hydroxy-2-(3-nitrophenyl)-4-oxo-4h-chromen-6-carboxylic acid
Comments MONAID: JP000691
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9NO7
InChI InChI=1S/C16H9NO7/c18-13-11-7-9(16(20)21)4-5-12(11)24-15(14(13)19)8-2-1-3-10(6-8)17(22)23/h1-7,19H,(H,20,21)
InChIKey XSUPIVYAFIPKTM-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 327.248 g/mol
SMILES OC=1C(c2c(ccc(C(O)=O)c2)OC1c1cc([N+]([O-])=O)ccc1)=O
SPLASH splash10-03xu-4901000000-a7381bc1b27bc7573f8c
Source of Spectrum SRH-2022-691-0
Wiley ID 1823170