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3-Amyl-4-keto-quinazoline-2-carbonitrile

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

3-Amyl-4-keto-quinazoline-2-carbonitrile
SpectraBase Compound ID BEUVD4FL5uk
InChI InChI=1S/C14H15N3O/c1-2-3-6-9-17-13(10-15)16-12-8-5-4-7-11(12)14(17)18/h4-5,7-8H,2-3,6,9H2,1H3
InChIKey PRCMYTBXLBRBGQ-UHFFFAOYSA-N
Mol Weight 241.29 g/mol
Molecular Formula C14H15N3O
Exact Mass 241.121512 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LL9rFam3hLp
Name 3-Amyl-4-keto-quinazoline-2-carbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 241.121512114 u
Formula C14H15N3O
InChI InChI=1S/C14H15N3O/c1-2-3-6-9-17-13(10-15)16-12-8-5-4-7-11(12)14(17)18/h4-5,7-8H,2-3,6,9H2,1H3
InChIKey PRCMYTBXLBRBGQ-UHFFFAOYSA-N
Molecular Weight 241.294 g/mol
SMILES C1(N(C(=NC=2C=CC=CC12)C#N)CCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93174