| SpectraBase Spectrum ID |
Jryiuyj3qL5 |
| Name |
Adipic acid, 5-methoxy-3-methylpentyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.240624190 u |
| Formula |
C18H34O5 |
| InChI |
InChI=1S/C18H34O5/c1-4-5-8-13-22-17(19)9-6-7-10-18(20)23-15-12-16(2)11-14-21-3/h16H,4-15H2,1-3H3 |
| InChIKey |
MDVFLGQDICBOOF-UHFFFAOYSA-N |
| Molecular Weight |
330.465 g/mol |
| SMILES |
C(CC(=O)OCCC(CCOC)C)CCC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809723 |
