| SpectraBase Spectrum ID |
7iRX5hdBewp |
| Name |
Adipic acid, isohexyl 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 |
330.240624190 u |
| Formula |
C18H34O5 |
| InChI |
InChI=1S/C18H34O5/c1-15(2)8-7-12-22-17(19)9-5-6-10-18(20)23-14-16(3)11-13-21-4/h15-16H,5-14H2,1-4H3 |
| InChIKey |
VGFIAHCQJBTEQV-UHFFFAOYSA-N |
| Molecular Weight |
330.465 g/mol |
| SMILES |
C(CC(=O)OCC(CCOC)C)CCC(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872827 |
