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Harmane hydrochloride monohydrate

View entire compound with spectra: 2 NMR, 2 FTIR, and 1 Raman

Harmane hydrochloride monohydrate
SpectraBase Compound ID IvWAuZZwkvm
InChI InChI=1S/C12H10N2.Cl.H2O/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12;;/h2-7,14H,1H3;;1H2
InChIKey WVESMYSDYWNUPS-UHFFFAOYSA-N
Mol Weight 235.69 g/mol
Molecular Formula C12H12ClN2O
Exact Mass 235.063816 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IvnCLaA4pN0
Name Harmane hydrochloride monohydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 250511
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClN2O
InChI InChI=1S/C12H10N2.Cl.H2O/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12;;/h2-7,14H,1H3;;1H2
InChIKey WVESMYSDYWNUPS-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1-Methyl-9H-pyrido[3,4-b]indole hydrochloride Aribine hydrochloride
Wiley ID SIAL_1HNMR_004246