| SpectraBase Spectrum ID |
2Na5Z7TyjfF |
| Name |
[2-(4-Methoxyphenyl)pyrido[1,2-A]pyrimidin-4-ylidene]acetonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
275.105862050 u |
| Formula |
C17H13N3O |
| InChI |
InChI=1S/C17H13N3O/c1-21-15-7-5-13(6-8-15)16-12-14(9-10-18)20-11-3-2-4-17(20)19-16/h2-9,11-12H,1H3/b14-9+ |
| InChIKey |
RPYRYVQHLJZFEV-NTEUORMPSA-N |
| SMILES |
C12=NC(=C\C(N2C=CC=C1)=C/C#N)C=1C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93491 |
![[2-(4-Methoxyphenyl)pyrido[1,2-a]pyrimidin-4-ylidene]acetonitrile](/api/spectrum/2Na5Z7TyjfF/structure.png?h=300&w=458 "[2-(4-Methoxyphenyl)pyrido[1,2-a]pyrimidin-4-ylidene]acetonitrile")
