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L-alpha-Methadol  HC l  inkbr
SpectraBase Compound ID BE7tiDdLeQE
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
Mol Weight 347.93 g/mol
Molecular Formula C21H30ClNO
Exact Mass 347.201592 g/mol

Raman Spectrum

Raman Spectrum

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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