| SpectraBase Spectrum ID |
JXW5rdyTs5G |
| Name |
Sebacic acid, 3,3-dimethylbut-2-yl pentyl 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/c1-6-7-14-17-24-19(22)15-12-10-8-9-11-13-16-20(23)25-18(2)21(3,4)5/h18H,6-17H2,1-5H3 |
| InChIKey |
DNKKTVLGGKHXEB-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(CCCCCCCCC(OC(C(C)(C)C)C)=O)(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865381 |
