| SpectraBase Spectrum ID |
B9S57VzrERk |
| Name |
Glutaric acid, hexyl 1-methoxydec-4-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.303224447 u |
| Formula |
C22H42O5 |
| InChI |
InChI=1S/C22H42O5/c1-4-6-8-10-14-20(15-13-18-25-3)27-22(24)17-12-16-21(23)26-19-11-9-7-5-2/h20H,4-19H2,1-3H3 |
| InChIKey |
CHLMZOIBBSQEJH-UHFFFAOYSA-N |
| Molecular Weight |
386.573 g/mol |
| SMILES |
COCCCC(OC(=O)CCCC(OCCCCCC)=O)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826922 |
