| SpectraBase Spectrum ID |
JY9O5IKg3vT |
| Name |
Sebacic acid, 2-hexyl isobutyl 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/c1-5-6-13-18(4)24-20(22)15-12-10-8-7-9-11-14-19(21)23-16-17(2)3/h17-18H,5-16H2,1-4H3 |
| InChIKey |
VRGJKTOIAGZFQG-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(CCCCCCCCC(OCC(C)C)=O)(OC(CCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957619 |
