SpectraBase Spectrum ID |
LD0zWIIMkKI |
Name |
L-alpha-Methadol HC l inkbr |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
347.201592289 u |
Formula |
C21H30ClNO |
InChI |
InChI=1S/C21H29NO.ClH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17,20,23H,5,16H2,1-4H3;1H/t17-,20-;/m0./s1 |
InChIKey |
GMNBUMFCZAZBQG-ZHXLSBKVSA-N |
SMILES |
O[C@](C(C=1C=CC=CC1)(C1=CC=CC=C1)C[C@](C)(N(C)C)[H])(CC)[H].Cl |
Spectrum/Structure Validation Score (Raman) |
0.989184 |