| SpectraBase Spectrum ID |
ID5mtUpMQJb |
| Name |
Sebacic acid, oct-3-yl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.292659764 u |
| Formula |
C21H40O4 |
| InChI |
InChI=1S/C21H40O4/c1-4-7-12-15-19(6-3)25-21(23)17-14-11-9-8-10-13-16-20(22)24-18-5-2/h19H,4-18H2,1-3H3 |
| InChIKey |
DDLBEERQXVUQQG-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(CCCCCCCC(OC(CCCCC)CC)=O)C(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97572 |
