| SpectraBase Spectrum ID |
DaVBskASD3d |
| Name |
Sebacic acid, butyl 4-methoxy-2-methylbutyl 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/c1-4-5-15-24-19(21)12-10-8-6-7-9-11-13-20(22)25-17-18(2)14-16-23-3/h18H,4-17H2,1-3H3 |
| InChIKey |
ZECWZISLSRGOPO-UHFFFAOYSA-N |
| Molecular Weight |
358.519 g/mol |
| SMILES |
C(CCCCC(OCC(C)CCOC)=O)CCCC(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971571 |
