| SpectraBase Spectrum ID |
DSZRbyIjA0w |
| Name |
Diethyl 3-cyano-2-oxo-6-phenyl-2H-pyran-4-ylmalonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.105587265 u |
| Formula |
C19H17NO6 |
| InChI |
InChI=1S/C19H17NO6/c1-3-24-18(22)16(19(23)25-4-2)13-10-15(12-8-6-5-7-9-12)26-17(21)14(13)11-20/h5-10,16H,3-4H2,1-2H3 |
| InChIKey |
STMCMQSNUWGOLT-UHFFFAOYSA-N |
| Molecular Weight |
355.346 g/mol |
| SMILES |
C1(=C(C(=O)OC(=C1)C1=CC=CC=C1)C#N)C(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977988 |
