| SpectraBase Spectrum ID |
HcD8HKSnp7k |
| Name |
Pimelic acid, 5-methoxy-3-methylpent-2-yl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.224974125 u |
| Formula |
C17H32O5 |
| InChI |
InChI=1S/C17H32O5/c1-5-12-21-16(18)9-7-6-8-10-17(19)22-15(3)14(2)11-13-20-4/h14-15H,5-13H2,1-4H3 |
| InChIKey |
LLPZUBAJTFBHJU-UHFFFAOYSA-N |
| Molecular Weight |
316.438 g/mol |
| SMILES |
C(OC(C(C)CCOC)C)(=O)CCCCCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898566 |
