| SpectraBase Spectrum ID |
B5QSVaFxT0e |
| Name |
Pimelic acid, di(5-methoxy-3-methylpent-2-yl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.282489002 u |
| Formula |
C21H40O6 |
| InChI |
InChI=1S/C21H40O6/c1-16(12-14-24-5)18(3)26-20(22)10-8-7-9-11-21(23)27-19(4)17(2)13-15-25-6/h16-19H,7-15H2,1-6H3 |
| InChIKey |
ZCJYYJAUDKDLKA-UHFFFAOYSA-N |
| Molecular Weight |
388.545 g/mol |
| SMILES |
C(OC(C(C)CCOC)C)(=O)CCCCCC(OC(C(C)CCOC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944114 |
