| SpectraBase Spectrum ID |
CXvQ2P8nbId |
| Name |
Dimethyl 3-cyano-6-(4-methoxyphenyl)-2-oxo-2H-pyran-4-ylmalonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.084851820 u |
| Formula |
C18H15NO7 |
| InChI |
InChI=1S/C18H15NO7/c1-23-11-6-4-10(5-7-11)14-8-12(13(9-19)16(20)26-14)15(17(21)24-2)18(22)25-3/h4-8,15H,1-3H3 |
| InChIKey |
SXYOXDGEPGEQLY-UHFFFAOYSA-N |
| Molecular Weight |
357.318 g/mol |
| SMILES |
C1(=C(C(=O)OC(=C1)C=1C=CC(=CC1)OC)C#N)C(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947267 |
