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10-(4'-Chlorophenyl)-3-(carboxymethyl)isoalloxazine
SpectraBase Compound ID BBgnrq4jXEw
InChI InChI=1S/C18H11ClN4O4/c19-10-5-7-11(8-6-10)23-13-4-2-1-3-12(13)20-15-16(23)21-18(27)22(17(15)26)9-14(24)25/h1-8H,9H2,(H,24,25)
InChIKey HEZUZUXEXVLWDU-UHFFFAOYSA-N
Mol Weight 382.76 g/mol
Molecular Formula C18H11ClN4O4
Exact Mass 382.046883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMMCditypER
Name 10-(4'-Chlorophenyl)-3-(carboxymethyl)isoalloxazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11ClN4O4
InChI InChI=1S/C18H11ClN4O4/c19-10-5-7-11(8-6-10)23-13-4-2-1-3-12(13)20-15-16(23)21-18(27)22(17(15)26)9-14(24)25/h1-8H,9H2,(H,24,25)
InChIKey HEZUZUXEXVLWDU-UHFFFAOYSA-N
Molecular Weight 382.763 g/mol
SMILES OC(CN1C(C=2C(=NC1=O)N(c1ccc(cc1)Cl)c1c(N2)cccc1)=O)=O
SPLASH splash10-0f80-0159000000-838ce715bf390af8c605
Source of Spectrum U-1995-1279-2
Synonyms 10-(4'-Chlorophenyl)-3-(methoxycarbonyl)isoalloxazine Methyl 10-(4-chlorophenyl)-2,4-dioxo-4,10-dihydrobenzo[g]pteridine-3(2H)-carboxylate 2-[10-(4-chlorophenyl)-2,4-dioxo-3-benzo[g]pteridinyl]acetic acid 2-[10-(4-chlorophenyl)-2,4-dioxobenzo[g]pteridin-3-yl]acetic acid 2-[10-(4-chlorophenyl)-2,4-dioxo-benzo[g]pteridin-3-yl]acetic acid 2-[10-(4-chlorophenyl)-2,4-bis(oxidanylidene)benzo[g]pteridin-3-yl]ethanoic acid
Wiley ID 767226