| SpectraBase Spectrum ID |
3K2bSDDxoLB |
| Name |
(S)-N-[(1S)-1-(2-Pyridyl)ethyl]valinol |
| 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/c1-9(2)12(8-15)14-10(3)11-6-4-5-7-13-11/h4-7,9-10,12,14-15H,8H2,1-3H3/t10-,12+/m0/s1 |
| InChIKey |
DDVAKCDAQBZZEX-CMPLNLGQSA-N |
| Molecular Weight |
208.305 g/mol |
| SMILES |
[C@](N[C@@](C(C)C)(CO)[H])(C1=NC=CC=C1)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865116 |
![(S)-N-[(1S)-1-(2-Pyridyl)ethyl]valinol](/api/spectrum/3K2bSDDxoLB/structure.png?h=300&w=458 "(S)-N-[(1S)-1-(2-Pyridyl)ethyl]valinol")
