| SpectraBase Spectrum ID |
K8WOCoZt1JM |
| Name |
Heptyl (3S)-3-hydroxy-5-methoxypentanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.183109313 u |
| Formula |
C13H26O4 |
| InChI |
InChI=1S/C13H26O4/c1-3-4-5-6-7-9-17-13(15)11-12(14)8-10-16-2/h12,14H,3-11H2,1-2H3 |
| InChIKey |
YFELLKLSWXVTKU-UHFFFAOYSA-N |
| Molecular Weight |
246.347 g/mol |
| SMILES |
C(CC(CCOC)O)(=O)OCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943837 |
