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6-[(4'-Fluorophenyl)amino]quinazolino[3,4-a]pyrimidine
SpectraBase Compound ID CM2YMilS3da
InChI InChI=1S/C24H15FN4/c25-16-11-13-17(14-12-16)26-24-28-19-8-2-1-7-18(19)23-27-20-9-3-5-15-6-4-10-21(22(15)20)29(23)24/h1-14H,(H,26,28)
InChIKey QCMVHPYLKOWNGL-UHFFFAOYSA-N
Mol Weight 378.41 g/mol
Molecular Formula C24H15FN4
Exact Mass 378.128075 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J7ElupZGCLy
Name 6-[(4'-Fluorophenyl)amino]quinazolino[3,4-A]pyrimidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.128074662 u
Formula C24H15FN4
InChI InChI=1S/C24H15FN4/c25-16-11-13-17(14-12-16)26-24-28-19-8-2-1-7-18(19)23-27-20-9-3-5-15-6-4-10-21(22(15)20)29(23)24/h1-14H,(H,26,28)
InChIKey QCMVHPYLKOWNGL-UHFFFAOYSA-N
Molecular Weight 378.410 g/mol
SMILES C1=2N(C=3C4=C(N2)C=CC=C4C=CC3)C(=NC=2C=CC=CC12)NC1=CC=C(C=C1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.899615