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3-({(E)-[4-(4-chlorophenoxy)phenyl]methylidene}amino)-2-methylquinazolin-4(3H)-one
SpectraBase Compound ID KnzqtvBnjSM
InChI InChI=1S/C22H16ClN3O2/c1-15-25-21-5-3-2-4-20(21)22(27)26(15)24-14-16-6-10-18(11-7-16)28-19-12-8-17(23)9-13-19/h2-14H,1H3/b24-14+
InChIKey VUSUURJISNOUSP-ZVHZXABRSA-N
Mol Weight 389.84 g/mol
Molecular Formula C22H16ClN3O2
Exact Mass 389.093104 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2uF5IPLwd0n
Name 3-({(E)-[4-(4-chlorophenoxy)phenyl]methylidene}amino)-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 389.093104465 u
Formula C22H16ClN3O2
InChI InChI=1S/C22H16ClN3O2/c1-15-25-21-5-3-2-4-20(21)22(27)26(15)24-14-16-6-10-18(11-7-16)28-19-12-8-17(23)9-13-19/h2-14H,1H3/b24-14+
InChIKey VUSUURJISNOUSP-ZVHZXABRSA-N
Molecular Weight 389.842 g/mol
SMILES C1(N(C(=NC2=C1C=CC=C2)C)\N=C\C=1C=CC(OC=2C=CC(=CC2)Cl)=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869125