| SpectraBase Spectrum ID |
3MiLHd68M8n |
| Name |
Pimelic acid, 3-(2-methoxyethyl)nonyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.334524576 u |
| Formula |
C24H46O5 |
| InChI |
InChI=1S/C24H46O5/c1-4-6-8-10-14-22(17-20-27-3)18-21-29-24(26)16-12-9-11-15-23(25)28-19-13-7-5-2/h22H,4-21H2,1-3H3 |
| InChIKey |
DWTSAFQAYIOEFB-UHFFFAOYSA-N |
| Molecular Weight |
414.627 g/mol |
| SMILES |
C(OCCC(CCCCCC)CCOC)(=O)CCCCCC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932305 |
