| SpectraBase Spectrum ID |
D8ScXIGc22M |
| Name |
Adipic acid, 3-(2-methoxyethyl)heptyl pentyl 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/c1-4-6-10-16-25-20(22)12-8-9-13-21(23)26-18-15-19(11-7-5-2)14-17-24-3/h19H,4-18H2,1-3H3 |
| InChIKey |
IBSIZAXZEKBGME-UHFFFAOYSA-N |
| Molecular Weight |
372.546 g/mol |
| SMILES |
C(CCC(=O)OCCC(CCCC)CCOC)CC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957471 |
