| SpectraBase Spectrum ID |
957tEDOvfdD |
| Name |
Adipic acid, butyl 5-methoxy-3-methylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.224974125 u |
| Formula |
C17H32O5 |
| InChI |
InChI=1S/C17H32O5/c1-4-5-12-21-16(18)8-6-7-9-17(19)22-14-11-15(2)10-13-20-3/h15H,4-14H2,1-3H3 |
| InChIKey |
PSVUMZFOROEHQV-UHFFFAOYSA-N |
| Molecular Weight |
316.438 g/mol |
| SMILES |
C(CC(=O)OCCC(C)CCOC)CCC(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938539 |
