| SpectraBase Spectrum ID |
AVjdcWZkvrB |
| Name |
Glutaric acid, di(3,7-dimethyloctyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.355260022 u |
| Formula |
C25H48O4 |
| InChI |
InChI=1S/C25H48O4/c1-20(2)10-7-12-22(5)16-18-28-24(26)14-9-15-25(27)29-19-17-23(6)13-8-11-21(3)4/h20-23H,7-19H2,1-6H3 |
| InChIKey |
NUXPEKJWRCBJBZ-UHFFFAOYSA-N |
| Molecular Weight |
412.655 g/mol |
| SMILES |
C(CCC(OCCC(C)CCCC(C)C)=O)C(OCCC(CCCC(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.990403 |
