| SpectraBase Spectrum ID |
9mwhe8MFT6W |
| Name |
Glutaric acid, naphth-2-ylmethyl but-2-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.151809184 u |
| Formula |
C20H22O4 |
| InChI |
InChI=1S/C20H22O4/c1-2-3-13-23-19(21)9-6-10-20(22)24-15-16-11-12-17-7-4-5-8-18(17)14-16/h2-5,7-8,11-12,14H,6,9-10,13,15H2,1H3/b3-2+ |
| InChIKey |
BLYGZJCSGOIWQJ-NSCUHMNNSA-N |
| Molecular Weight |
326.392 g/mol |
| SMILES |
C(CCC(OCC1=CC2=C(C=CC=C2)C=C1)=O)C(OC\C=C\C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981822 |
