| SpectraBase Spectrum ID |
BlD4fSicv3s |
| Name |
Adipic acid, di(2-heptyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.277009700 u |
| Formula |
C20H38O4 |
| InChI |
InChI=1S/C20H38O4/c1-5-7-9-13-17(3)23-19(21)15-11-12-16-20(22)24-18(4)14-10-8-6-2/h17-18H,5-16H2,1-4H3 |
| InChIKey |
HXEQAVFXRNYRDT-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(C(OC(C)CCCCC)=O)CCCC(OC(C)CCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971267 |
