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U-51754 hydrochloride

View entire compound with spectra: 1 Raman

U-51754 hydrochloride
SpectraBase Compound ID L3bvw07oBpk
InChI InChI=1S/C17H24Cl2N2O.ClH/c1-20(2)15-6-4-5-7-16(15)21(3)17(22)11-12-8-9-13(18)14(19)10-12;/h8-10,15-16H,4-7,11H2,1-3H3;1H/t15-,16-;/m0./s1
InChIKey HWTHETSSNXMUPA-MOGJOVFKSA-N
Mol Weight 379.76 g/mol
Molecular Formula C17H25Cl3N2O
Exact Mass 378.103247 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID FoM8ndzQR2J
Name U-51754 hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.103246532 u
Formula C17H25Cl3N2O
InChI InChI=1S/C17H24Cl2N2O.ClH/c1-20(2)15-6-4-5-7-16(15)21(3)17(22)11-12-8-9-13(18)14(19)10-12;/h8-10,15-16H,4-7,11H2,1-3H3;1H/t15-,16-;/m0./s1
InChIKey HWTHETSSNXMUPA-MOGJOVFKSA-N
Molecular Weight 379.759 g/mol
SMILES Cl.C=1C(=CC=C(C1Cl)Cl)CC(N([C@]1(CCCC[C@@]1(N(C)C)[H])[H])C)=O
Spectrum/Structure Validation Score (Raman) 0.976256