| SpectraBase Spectrum ID |
K9kxKPBsHwl |
| Name |
1H-Perimidine, 2,3-dihydro-2-(3-pyridinyl)-, 2ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.132076797 u |
| Formula |
C20H17N3O2 |
| InChI |
InChI=1S/C20H17N3O2/c1-13(24)22-17-9-3-6-15-7-4-10-18(19(15)17)23(14(2)25)20(22)16-8-5-11-21-12-16/h3-12,20H,1-2H3 |
| InChIKey |
GEHDDOYIEWTHOH-UHFFFAOYSA-N |
| Molecular Weight |
331.375 g/mol |
| SMILES |
C1(N(C2=C3C(N1C(C)=O)=CC=CC3=CC=C2)C(C)=O)C1=CN=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911348 |
