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U-47700 hydrochloride

View entire compound with spectra: 1 Raman

U-47700 hydrochloride
SpectraBase Compound ID H5BB1MhJIn1
InChI InChI=1S/C16H22Cl2N2O.ClH/c1-19(2)14-6-4-5-7-15(14)20(3)16(21)11-8-9-12(17)13(18)10-11;/h8-10,14-15H,4-7H2,1-3H3;1H/t14-,15-;/m1./s1
InChIKey PPYIOFRTHARFMC-CTHHTMFSSA-N
Mol Weight 365.73 g/mol
Molecular Formula C16H23Cl3N2O
Exact Mass 364.087596 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID CJO3qKLwMvV
Name U-47700 hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.087596468 u
Formula C16H23Cl3N2O
InChI InChI=1S/C16H22Cl2N2O.ClH/c1-19(2)14-6-4-5-7-15(14)20(3)16(21)11-8-9-12(17)13(18)10-11;/h8-10,14-15H,4-7H2,1-3H3;1H/t14-,15-;/m1./s1
InChIKey PPYIOFRTHARFMC-CTHHTMFSSA-N
Molecular Weight 365.732 g/mol
SMILES Cl.C=1(Cl)C=C(C(=O)N([C@]2([C@](N(C)C)(CCCC2)[H])[H])C)C=CC1Cl
Spectrum/Structure Validation Score (Raman) 0.967655