| SpectraBase Spectrum ID |
5whNX1nNDXs |
| Name |
Succinic acid, heptadecyl 4-methylbenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.355260022 u |
| Formula |
C29H48O4 |
| InChI |
InChI=1S/C29H48O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-32-28(30)22-23-29(31)33-25-27-20-18-26(2)19-21-27/h18-21H,3-17,22-25H2,1-2H3 |
| InChIKey |
ZIMRHTMGHXIWNY-UHFFFAOYSA-N |
| Molecular Weight |
460.699 g/mol |
| SMILES |
C(CCC(OCC=1C=CC(=CC1)C)=O)(OCCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84315 |
