| SpectraBase Spectrum ID |
88xIjha3EYR |
| Name |
Pimelic acid, 3,7-dimethyloctyl hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.323959893 u |
| Formula |
C23H44O4 |
| InChI |
InChI=1S/C23H44O4/c1-5-6-7-11-18-26-22(24)15-9-8-10-16-23(25)27-19-17-21(4)14-12-13-20(2)3/h20-21H,5-19H2,1-4H3 |
| InChIKey |
YEMOAPQHCXIQDQ-UHFFFAOYSA-N |
| Molecular Weight |
384.601 g/mol |
| SMILES |
C(OCCC(C)CCCC(C)C)(=O)CCCCCC(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837023 |
