| SpectraBase Spectrum ID |
5v7wLe4nWJu |
| Name |
Cyclopent-3-ene-1,1,2-tricarbonitrile, 3-amino-4-formyl-2-(2-oxo-1-phenylpropyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.111675705 u |
| Formula |
C18H14N4O2 |
| InChI |
InChI=1S/C18H14N4O2/c1-12(24)15(13-5-3-2-4-6-13)18(11-21)16(22)14(8-23)7-17(18,9-19)10-20/h2-6,8,15H,7,22H2,1H3 |
| InChIKey |
BYTRDEOAIDUSOD-UHFFFAOYSA-N |
| Molecular Weight |
318.336 g/mol |
| SMILES |
C1(C(CC(=C1N)C=O)(C#N)C#N)(C(C(=O)C)C1=CC=CC=C1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860076 |
