SpectraBase Spectrum ID |
AllCj9UTuPo |
Name |
1-(4,5-Dimethylsalicyl)-4-piperidinemethanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
249.172878983 u |
Formula |
C15H23NO2 |
InChI |
InChI=1S/C15H23NO2/c1-11-7-14(15(18)8-12(11)2)9-16-5-3-13(10-17)4-6-16/h7-8,13,17-18H,3-6,9-10H2,1-2H3 |
InChIKey |
KXRLBMZOJKBDDZ-UHFFFAOYSA-N |
Molecular Weight |
249.354 g/mol |
SMILES |
OCC1CCN(CC2=C(C=C(C(=C2)C)C)O)CC1 |
Spectrum/Structure Validation Score (Raman) |
0.976493 |