| SpectraBase Spectrum ID |
JxnpDpABhtK |
| Name |
Dioctyladipate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.308309828 u |
| Formula |
C22H42O4 |
| InChI |
InChI=1S/C22H42O4/c1-5-9-11-15-20(8-4)26-22(24)17-13-12-16-21(23)25-18-19(7-3)14-10-6-2/h19-20H,5-18H2,1-4H3 |
| InChIKey |
JSMPKTNFPRHWFO-UHFFFAOYSA-N |
| Molecular Weight |
370.574 g/mol |
| SMILES |
C(OC(CCCCC(OCC(CCCC)CC)=O)=O)(CCCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959805 |
