SpectraBase Spectrum ID |
frAZMuFjJ0 |
Name |
2,3-Dimethyl-6-(piperidinomethyl)phenol, hydrochloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
255.138992031 u |
Formula |
C14H22ClNO |
InChI |
InChI=1S/C14H21NO.ClH/c1-11-6-7-13(14(16)12(11)2)10-15-8-4-3-5-9-15;/h6-7,16H,3-5,8-10H2,1-2H3;1H |
InChIKey |
VCMQZXWDSVZMRF-UHFFFAOYSA-N |
Molecular Weight |
255.789 g/mol |
SMILES |
Cl.OC=1C(CN2CCCCC2)=CC=C(C)C1C |
Spectrum/Structure Validation Score (Raman) |
0.947274 |