| SpectraBase Spectrum ID |
KIMWa8PPxDb |
| Name |
2,6-Pyridinediethanol, .alpha.2-ethyl-1,2,3,6-tetrahydro-.alpha.',1-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
227.188529047 u |
| Formula |
C13H25NO2 |
| InChI |
InChI=1S/C13H25NO2/c1-4-13(16)9-12-7-5-6-11(14(12)3)8-10(2)15/h5-6,10-13,15-16H,4,7-9H2,1-3H3 |
| InChIKey |
YDGRDDWFYSHYSZ-UHFFFAOYSA-N |
| Molecular Weight |
227.348 g/mol |
| SMILES |
C1(CC=CC(N1C)CC(O)C)CC(O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842741 |
