| SpectraBase Spectrum ID |
5ko0Sx2HlBT |
| Name |
Adipic acid, 4-methoxy-2-methylbutyl pentyl 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/c1-4-5-8-12-21-16(18)9-6-7-10-17(19)22-14-15(2)11-13-20-3/h15H,4-14H2,1-3H3 |
| InChIKey |
JDPOFXRGGADJID-UHFFFAOYSA-N |
| Molecular Weight |
316.438 g/mol |
| SMILES |
C(CC(=O)OCC(CCOC)C)CCC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845501 |
