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Apomorphine HCl

View entire compound with spectra: 2 NMR, and 3 FTIR

Apomorphine HCl
SpectraBase Compound ID E6RbvWV5JoH
InChI InChI=1S/2C17H17NO2.2ClH.H2O/c2*1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;;;/h2*2-6,13,19-20H,7-9H2,1H3;2*1H;1H2/t2*13-;;;/m11.../s1
InChIKey CXWQXGNFZLHLHQ-DPFCLETOSA-N
Mol Weight 625.59 g/mol
Molecular Formula C34H38Cl2N2O5
Exact Mass 624.215778 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BpMDYrmRK0y
Name R-(-)-Apomorphine hydrochloride hemihydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 363944
CAS Registry Number 41372-20-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H38Cl2N2O5
InChI InChI=1S/2C17H17NO2.2ClH.H2O/c2*1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;;;/h2*2-6,13,19-20H,7-9H2,1H3;2*1H;1H2/t2*13-;;;/m11.../s1
InChIKey CXWQXGNFZLHLHQ-DPFCLETOSA-N
Observed nucleus 1H
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol hydrate dihydrochloride
Wiley ID SIAL_1HNMR_007558