| SpectraBase Spectrum ID |
2Bw8RDibmOB |
| Name |
Sebacic acid, isobutyl 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/c1-17(2)15-24-19(21)11-9-7-5-6-8-10-12-20(22)25-16-18(3)13-14-23-4/h17-18H,5-16H2,1-4H3 |
| InChIKey |
ZGNCEECORMLRJR-UHFFFAOYSA-N |
| Molecular Weight |
358.519 g/mol |
| SMILES |
C(CCCCC(OCC(C)CCOC)=O)CCCC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986925 |
