| SpectraBase Spectrum ID |
7XJpYp1kTCf |
| Name |
Glutaric acid, pent-2-en-1-yl naphth-2-ylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.167459249 u |
| Formula |
C21H24O4 |
| InChI |
InChI=1S/C21H24O4/c1-2-3-6-14-24-20(22)10-7-11-21(23)25-16-17-12-13-18-8-4-5-9-19(18)15-17/h3-6,8-9,12-13,15H,2,7,10-11,14,16H2,1H3/b6-3+ |
| InChIKey |
NPMSWTIKCNVSGY-ZZXKWVIFSA-N |
| Molecular Weight |
340.419 g/mol |
| SMILES |
C(CCC(OCC1=CC2=C(C=CC=C2)C=C1)=O)C(OC\C=C\CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961052 |
