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4-(4-ketoquinazolin-3-yl)butyric acid

View entire compound with spectra: 2 MS (GC)

4-(4-ketoquinazolin-3-yl)butyric acid
SpectraBase Compound ID Hflohk4RzYc
InChI InChI=1S/C12H12N2O3/c15-11(16)6-3-7-14-8-13-10-5-2-1-4-9(10)12(14)17/h1-2,4-5,8H,3,6-7H2,(H,15,16)
InChIKey YDSMKDAFGDSYPS-UHFFFAOYSA-N
Mol Weight 232.24 g/mol
Molecular Formula C12H12N2O3
Exact Mass 232.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8M5yE7mcnPk
Name 4-(4-ketoquinazolin-3-yl)butyric acid
CAS Registry Number 25818-89-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O3
InChI InChI=1S/C12H12N2O3/c15-11(16)6-3-7-14-8-13-10-5-2-1-4-9(10)12(14)17/h1-2,4-5,8H,3,6-7H2,(H,15,16)
InChIKey YDSMKDAFGDSYPS-UHFFFAOYSA-N
Molecular Weight 232.239 g/mol
SMILES OC(CCCN1C(c2c(N=C1)cccc2)=O)=O
SPLASH splash10-02it-0910000000-8195a2ab68b3f8d9e00f
Source of Spectrum H-68-899-8
Synonyms 4-(4-oxidanylidenequinazolin-3-yl)butanoic acid 4-(4-oxo-3-quinazolinyl)butanoic acid 4-(4-oxoquinazolin-3-yl)butanoic acid
Wiley ID 1233607