| SpectraBase Spectrum ID |
4KwXzFkHGFk |
| Name |
Methyl 3,5-dimethyl-6-(tetrahydro-2H-pyran-2-yloxy)hexanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.183109313 u |
| Formula |
C14H26O4 |
| InChI |
InChI=1S/C14H26O4/c1-11(9-13(15)16-3)8-12(2)10-18-14-6-4-5-7-17-14/h11-12,14H,4-10H2,1-3H3 |
| InChIKey |
PDRDUAURBWOWML-UHFFFAOYSA-N |
| Molecular Weight |
258.358 g/mol |
| SMILES |
C(CC(CC(COC1CCCCO1)C)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903973 |
