| SpectraBase Spectrum ID |
PzBl1zcS7k |
| Name |
Sebacic acid, isohexyl 2-methylpent-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.308309828 u |
| Formula |
C22H42O4 |
| InChI |
InChI=1S/C22H42O4/c1-6-20(19(4)5)26-22(24)16-12-10-8-7-9-11-15-21(23)25-17-13-14-18(2)3/h18-20H,6-17H2,1-5H3 |
| InChIKey |
XLBQPZFXVRZNLK-UHFFFAOYSA-N |
| Molecular Weight |
370.574 g/mol |
| SMILES |
C(CCCCC(OC(C(C)C)CC)=O)CCCC(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.808346 |
