| SpectraBase Spectrum ID |
BIgayCwgdjj |
| Name |
Sebacic acid, butyl 6-methylhept-2-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/c1-5-6-18-25-21(23)16-11-9-7-8-10-12-17-22(24)26-20(4)15-13-14-19(2)3/h19-20H,5-18H2,1-4H3 |
| InChIKey |
XUZSAUROOJRFGL-UHFFFAOYSA-N |
| Molecular Weight |
370.574 g/mol |
| SMILES |
C(CCCCCCCC(OC(CCCC(C)C)C)=O)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943954 |
