SpectraBase Spectrum ID |
DIBTsGyridI |
Name |
(2S,3S)-1-Benzyl-2-methyl-3-piperidinol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
205.146664235 u |
Formula |
C13H19NO |
InChI |
InChI=1S/C13H19NO/c1-11-13(15)8-5-9-14(11)10-12-6-3-2-4-7-12/h2-4,6-7,11,13,15H,5,8-10H2,1H3/t11-,13-/m0/s1 |
InChIKey |
ZFJGRVQFTNBLRP-AAEUAGOBSA-N |
Molecular Weight |
205.301 g/mol |
SMILES |
C1[C@](O)([C@@](N(CC2=CC=CC=C2)CC1)(C)[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92303 |