| SpectraBase Spectrum ID |
BSKiMR7Minq |
| Name |
Cyclopent-3-ene-1,1,2-tricarbinitrile, 3-amino-4-formyl-5-methyl-2-(2-oxo-2-phenylethyl)- |
| 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/c1-12-14(8-23)16(22)17(9-19,18(12,10-20)11-21)7-15(24)13-5-3-2-4-6-13/h2-6,8,12H,7,22H2,1H3 |
| InChIKey |
FXFUNOQJMBGJLS-UHFFFAOYSA-N |
| Molecular Weight |
318.336 g/mol |
| SMILES |
C1(C(C(C)C(=C1N)C=O)(C#N)C#N)(CC(=O)C1=CC=CC=C1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.802513 |
