| SpectraBase Spectrum ID |
CmScMVvKRV3 |
| Name |
beta-oxo-alpha-Veratrylidene-4-morpholinepropionitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.126657064 u |
| Formula |
C16H18N2O4 |
| InChI |
InChI=1S/C16H18N2O4/c1-20-14-4-3-12(10-15(14)21-2)9-13(11-17)16(19)18-5-7-22-8-6-18/h3-4,9-10H,5-8H2,1-2H3 |
| InChIKey |
RQXWIMADWQNBAJ-UHFFFAOYSA-N |
| Molecular Weight |
302.330 g/mol |
| SMILES |
C=1C(=CC=C(C1OC)OC)C=C(C#N)C(=O)N1CCOCC1 |
| Spectrum/Structure Validation Score (Raman) |
0.981461 |
