| SpectraBase Spectrum ID |
6W9ufsmjCLl |
| Name |
Adipic acid, butyl 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 |
358.271924319 u |
| Formula |
C20H38O5 |
| InChI |
InChI=1S/C20H38O5/c1-4-6-10-18(13-16-23-3)14-17-25-20(22)12-9-8-11-19(21)24-15-7-5-2/h18H,4-17H2,1-3H3 |
| InChIKey |
URSHWAODBSKBPZ-UHFFFAOYSA-N |
| Molecular Weight |
358.519 g/mol |
| SMILES |
C(OC(CCCCC(=O)OCCC(CCCC)CCOC)=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944912 |
