| SpectraBase Spectrum ID |
EMqhdcnBIVh |
| Name |
Pimelic 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 |
440.386560150 u |
| Formula |
C27H52O4 |
| InChI |
InChI=1S/C27H52O4/c1-22(2)12-10-14-24(5)18-20-30-26(28)16-8-7-9-17-27(29)31-21-19-25(6)15-11-13-23(3)4/h22-25H,7-21H2,1-6H3 |
| InChIKey |
SNRQTBKMBPVSSZ-UHFFFAOYSA-N |
| Molecular Weight |
440.709 g/mol |
| SMILES |
C(OCCC(C)CCCC(C)C)(=O)CCCCCC(OCCC(CCCC(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.991671 |
