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7-Chloro-2-methylquinazolin-4(3H)-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

7-Chloro-2-methylquinazolin-4(3H)-one
SpectraBase Compound ID EejkUc9RZ79
InChI InChI=1S/C9H7ClN2O/c1-5-11-8-4-6(10)2-3-7(8)9(13)12-5/h2-4H,1H3,(H,11,12,13)
InChIKey HSXQJNOGRWBTBQ-UHFFFAOYSA-N
Mol Weight 194.62 g/mol
Molecular Formula C9H7ClN2O
Exact Mass 194.024691 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HEbgrdqNkhu
Name 7-Chloro-2-methylquinazolin-4(3H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.024690552 u
Formula C9H7ClN2O
InChI InChI=1S/C9H7ClN2O/c1-5-11-8-4-6(10)2-3-7(8)9(13)12-5/h2-4H,1H3,(H,11,12,13)
InChIKey HSXQJNOGRWBTBQ-UHFFFAOYSA-N
Molecular Weight 194.621 g/mol
SMILES C1(C2=C(C=C(C=C2)Cl)N=C(N1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969262