| SpectraBase Spectrum ID |
JRe7ZwhMisK |
| Name |
Methyl 2-(2-(cyanomethyl)-6-methoxy-4-methylphenyl)-7-methoxy-3-oxo-3H-indene -1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
377.126322711 u |
| Formula |
C22H19NO5 |
| InChI |
InChI=1S/C22H19NO5/c1-12-10-13(8-9-23)17(16(11-12)27-3)19-20(22(25)28-4)18-14(21(19)24)6-5-7-15(18)26-2/h5-7,10-11H,8H2,1-4H3 |
| InChIKey |
DKVCFDCDHQRKAE-UHFFFAOYSA-N |
| Molecular Weight |
377.396 g/mol |
| SMILES |
C1=CC(=C2C(=C(C3=C(C=C(C=C3OC)C)CC#N)C(C2=C1)=O)C(OC)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935797 |
