| SpectraBase Spectrum ID |
3vuhBB4qFLD |
| Name |
Sebacic acid, 4-methylhept-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/c1-5-14-18(4)19(7-3)25-21(23)16-13-11-9-8-10-12-15-20(22)24-17-6-2/h18-19H,5-17H2,1-4H3 |
| InChIKey |
CJDVMCHWMHZKQG-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(CCCCCCCC(OC(C(C)CCC)CC)=O)C(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952208 |
