| SpectraBase Spectrum ID |
6reA4hnLWFZ |
| Name |
Succinic acid, naphth-2-ylmethyl 4-heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.198759378 u |
| Formula |
C22H28O4 |
| InChI |
InChI=1S/C22H28O4/c1-3-7-20(8-4-2)26-22(24)14-13-21(23)25-16-17-11-12-18-9-5-6-10-19(18)15-17/h5-6,9-12,15,20H,3-4,7-8,13-14,16H2,1-2H3 |
| InChIKey |
MSTLTAUGGPJBPP-UHFFFAOYSA-N |
| Molecular Weight |
356.462 g/mol |
| SMILES |
C(CC(OCC1=CC2=C(C=CC=C2)C=C1)=O)C(OC(CCC)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843442 |
