| SpectraBase Spectrum ID |
EhAYHnj4KsZ |
| Name |
2H-Pyran-3-carboxylic acid, 5,6-dihydro-, cyano(3-phenoxyphenyl)methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.115758027 u |
| Formula |
C20H17NO4 |
| InChI |
InChI=1S/C20H17NO4/c21-13-19(25-20(22)16-7-5-11-23-14-16)15-6-4-10-18(12-15)24-17-8-2-1-3-9-17/h1-4,6-10,12,19H,5,11,14H2 |
| InChIKey |
GUYGNVGWRUKLDO-UHFFFAOYSA-N |
| Molecular Weight |
335.359 g/mol |
| SMILES |
C1(C(OC(C#N)C=2C=C(OC=3C=CC=CC3)C=CC2)=O)=CCCOC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922738 |
