| SpectraBase Spectrum ID |
1vUFOxwTBvU |
| Name |
Sebacic acid, 5-methoxy-3-methylpentyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.271924319 u |
| Formula |
C20H38O5 |
| InChI |
InChI=1S/C20H38O5/c1-4-15-24-19(21)11-9-7-5-6-8-10-12-20(22)25-17-14-18(2)13-16-23-3/h18H,4-17H2,1-3H3 |
| InChIKey |
WPDHSFSMBPBIRK-UHFFFAOYSA-N |
| Molecular Weight |
358.519 g/mol |
| SMILES |
C(CCCCCCCCC(OCCC)=O)(OCCC(C)CCOC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982954 |
