| SpectraBase Spectrum ID |
BGnqJL4L7eP |
| Name |
Adipic acid, hexyl 3-(2-methoxyethyl)heptyl 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/c1-4-6-8-11-17-26-21(23)13-9-10-14-22(24)27-19-16-20(12-7-5-2)15-18-25-3/h20H,4-19H2,1-3H3 |
| InChIKey |
HRJGDIUZBWFPMR-UHFFFAOYSA-N |
| Molecular Weight |
386.573 g/mol |
| SMILES |
C(C(=O)OCCC(CCCC)CCOC)CCCC(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826266 |
