| SpectraBase Spectrum ID |
5lqbc27G7tC |
| Name |
Sebacic acid, 3-methylbut-2-yl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.277009700 u |
| Formula |
C20H38O4 |
| InChI |
InChI=1S/C20H38O4/c1-5-6-13-16-23-19(21)14-11-9-7-8-10-12-15-20(22)24-18(4)17(2)3/h17-18H,5-16H2,1-4H3 |
| InChIKey |
ROUFCTYPPAQTPB-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(C(OC(C(C)C)C)=O)CCCCCCCC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876393 |
