| SpectraBase Spectrum ID |
Lsic8vBquSA |
| Name |
2-Pyridinecarbonitrile, 3-ethyl-1,2,5,6-tetrahydro-2-(1-hydroxypropyl)-1-methyl-, (R*,S*)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.157563271 u |
| Formula |
C12H20N2O |
| InChI |
InChI=1S/C12H20N2O/c1-4-10-7-6-8-14(3)12(10,9-13)11(15)5-2/h7,11,15H,4-6,8H2,1-3H3 |
| InChIKey |
VJLYAKFZJRBJQA-UHFFFAOYSA-N |
| Molecular Weight |
208.305 g/mol |
| SMILES |
C1(N(CCC=C1CC)C)(C#N)C(O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964723 |
