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2,6,10-trihydroxy-12-nitro-4,8-dioxo-6,12-dihydrodipyrimido[1,3-c:3',1'-f]pyrimidine-3,9-dicarboxylic acid
SpectraBase Compound ID 4OWYtyVJlLX
InChI InChI=1S/C12H7N5O11/c18-6-1(10(22)23)8(20)15-4(13-6)3(17(27)28)5-14-7(19)2(11(24)25)9(21)16(5)12(15)26/h3,12,18-19,26H,(H,22,23)(H,24,25)
InChIKey NOKWFEWBHZBNGF-UHFFFAOYSA-N
Mol Weight 397.21 g/mol
Molecular Formula C12H7N5O11
Exact Mass 397.014206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CsY8Go2JTjY
Name 2,6,10-trihydroxy-12-nitro-4,8-dioxo-6,12-dihydrodipyrimido[1,3-c:3',1'-f]pyrimidine-3,9-dicarboxylic acid
Appearance Black solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7N5O11
InChI InChI=1S/C12H7N5O11/c18-6-1(10(22)23)8(20)15-4(13-6)3(17(27)28)5-14-7(19)2(11(24)25)9(21)16(5)12(15)26/h3,12,18-19,26H,(H,22,23)(H,24,25)
InChIKey NOKWFEWBHZBNGF-UHFFFAOYSA-N
Instrument Name Varian Matt 311
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.c03
Molecular Weight 397.212 g/mol
SMILES OC1N2C(C(C(O)=O)=C(N=C2C(C2=NC(=C(C(N12)=O)C(O)=O)O)[N+]([O-])=O)O)=O
SPLASH splash10-0uyi-9000000000-656f605cfb9cd8bb5139
Source of Spectrum ARK-2009-29-27
Wiley ID 1869760