| SpectraBase Spectrum ID |
18DvmCFwtDu |
| Name |
Adipic acid, ethyl 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 |
330.240624190 u |
| Formula |
C18H34O5 |
| InChI |
InChI=1S/C18H34O5/c1-4-6-9-16(12-14-21-3)13-15-23-18(20)11-8-7-10-17(19)22-5-2/h16H,4-15H2,1-3H3 |
| InChIKey |
DKPDIHFVWCJUAV-UHFFFAOYSA-N |
| Molecular Weight |
330.465 g/mol |
| SMILES |
C(C(=O)OCCC(CCCC)CCOC)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9721 |
