| SpectraBase Spectrum ID |
2Ip1Sogx510 |
| Name |
Pimelic acid, hexyl 2-(2-methoxyethyl)heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.318874512 u |
| Formula |
C23H44O5 |
| InChI |
InChI=1S/C23H44O5/c1-4-6-8-13-18-27-22(24)15-11-9-12-16-23(25)28-20-21(17-19-26-3)14-10-7-5-2/h21H,4-20H2,1-3H3 |
| InChIKey |
ZTPLASWACWAEAZ-UHFFFAOYSA-N |
| Molecular Weight |
400.600 g/mol |
| SMILES |
C(OCC(CCOC)CCCCC)(=O)CCCCCC(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867159 |
