| SpectraBase Spectrum ID |
6yi2pKe36mZ |
| Name |
Glutaric acid, hex-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 |
354.183109313 u |
| Formula |
C22H26O4 |
| InChI |
InChI=1S/C22H26O4/c1-2-3-4-7-15-25-21(23)11-8-12-22(24)26-17-18-13-14-19-9-5-6-10-20(19)16-18/h4-7,9-10,13-14,16H,2-3,8,11-12,15,17H2,1H3/b7-4+ |
| InChIKey |
ZNJDIBPNKZFHHG-QPJJXVBHSA-N |
| Molecular Weight |
354.446 g/mol |
| SMILES |
C(CCC(OCC1=CC2=C(C=CC=C2)C=C1)=O)C(OC\C=C\CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925502 |
