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1,3(2H,4H)-Quinazolinediacetic acid, 6-chloro-2,4-dioxo-
SpectraBase Compound ID 7086LfZbd4I
InChI InChI=1S/C12H9ClN2O6/c13-6-1-2-8-7(3-6)11(20)15(5-10(18)19)12(21)14(8)4-9(16)17/h1-3H,4-5H2,(H,16,17)(H,18,19)
InChIKey MOMLILHWNPNHIV-UHFFFAOYSA-N
Mol Weight 312.67 g/mol
Molecular Formula C12H9ClN2O6
Exact Mass 312.014914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGV9kpFvckF
Name 1,3(2H,4H)-Quinazolinediacetic acid, 6-chloro-2,4-dioxo-
CAS Registry Number 105407-95-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9ClN2O6
InChI InChI=1S/C12H9ClN2O6/c13-6-1-2-8-7(3-6)11(20)15(5-10(18)19)12(21)14(8)4-9(16)17/h1-3H,4-5H2,(H,16,17)(H,18,19)
InChIKey MOMLILHWNPNHIV-UHFFFAOYSA-N
Molecular Weight 312.665 g/mol
SMILES OC(CN1C(N(CC(=O)O)C(c2c1ccc(c2)Cl)=O)=O)=O
SPLASH splash10-0i00-0971000000-ea820dde7ad3c1746720
Source of Spectrum AH-118-78-11
Synonyms (1-(carboxymethyl)-6-chloro-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)acetic acid 6-Chloro-1,2,3,4-tetrahydro-2,4-dioxoquinazoline-1,3-diacetic acid
Wiley ID 1312844