| SpectraBase Spectrum ID |
9K5V0yuF1nD |
| Name |
3-[3-(2-Methoxyphenyl)prop-2-yn-1-yl]-4-oxo-3,4-dihydroquinazoline-2-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.100776669 u |
| Formula |
C19H13N3O2 |
| InChI |
InChI=1S/C19H13N3O2/c1-24-17-11-5-2-7-14(17)8-6-12-22-18(13-20)21-16-10-4-3-9-15(16)19(22)23/h2-5,7,9-11H,12H2,1H3 |
| InChIKey |
DBKWEYIVWJAFTQ-UHFFFAOYSA-N |
| Molecular Weight |
315.332 g/mol |
| SMILES |
C1(N(C(=NC2=CC=CC=C12)C#N)CC#CC1=C(OC)C=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932377 |
![3-[3-(2-Methoxyphenyl)prop-2-yn-1-yl]-4-oxo-3,4-dihydroquinazoline-2-carbonitrile](/api/spectrum/9K5V0yuF1nD/structure.png?h=300&w=458 "3-[3-(2-Methoxyphenyl)prop-2-yn-1-yl]-4-oxo-3,4-dihydroquinazoline-2-carbonitrile")
