| SpectraBase Spectrum ID |
I3jI3U9137m |
| Name |
Glutaric acid, naphth-2-ylmethyl pent-4-en-2-yl 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/c1-3-7-16(2)25-21(23)11-6-10-20(22)24-15-17-12-13-18-8-4-5-9-19(18)14-17/h3-5,8-9,12-14,16H,1,6-7,10-11,15H2,2H3 |
| InChIKey |
KLJALDDQFRTOPG-UHFFFAOYSA-N |
| Molecular Weight |
340.419 g/mol |
| SMILES |
C(CCC(OCC1=CC2=C(C=CC=C2)C=C1)=O)C(OC(C)CC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954279 |
