| SpectraBase Spectrum ID |
4gr0bL02WBu |
| Name |
Adipic acid, di(4-methoxy-2-methylbutyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.235538809 u |
| Formula |
C18H34O6 |
| InChI |
InChI=1S/C18H34O6/c1-15(9-11-21-3)13-23-17(19)7-5-6-8-18(20)24-14-16(2)10-12-22-4/h15-16H,5-14H2,1-4H3 |
| InChIKey |
SGTXHLHHDXJFFM-UHFFFAOYSA-N |
| Molecular Weight |
346.464 g/mol |
| SMILES |
CC(COC(CCCCC(=O)OCC(CCOC)C)=O)CCOC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.995387 |
