| SpectraBase Spectrum ID |
9dk97bjaAZl |
| Name |
Sebacic acid, isobutyl 5-methoxy-3-methylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.287574383 u |
| Formula |
C21H40O5 |
| InChI |
InChI=1S/C21H40O5/c1-18(2)17-26-21(23)12-10-8-6-5-7-9-11-20(22)25-16-14-19(3)13-15-24-4/h18-19H,5-17H2,1-4H3 |
| InChIKey |
SSUNGIINBJHCPC-UHFFFAOYSA-N |
| Molecular Weight |
372.546 g/mol |
| SMILES |
C(CCCCCCCCC(OCC(C)C)=O)(OCCC(C)CCOC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973946 |
