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Harmol hydrochloride dihydrate

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

Harmol hydrochloride dihydrate
SpectraBase Compound ID 1LVBAwbnpaQ
InChI InChI=1S/C12H10N2O.Cl.2H2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12;;;/h2-6,14-15H,1H3;;2*1H2
InChIKey IKCXGQCMHSRKBO-UHFFFAOYSA-N
Mol Weight 269.708 g/mol
Molecular Formula C12H14ClN2O3
Exact Mass 269.069295 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CIRtNE1AXZA
Name Harmol hydrochloride dihydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 116556
CAS Registry Number 149022-16-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14ClN2O3
InChI InChI=1S/C12H10N2O.Cl.2H2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12;;;/h2-6,14-15H,1H3;;2*1H2
InChIKey IKCXGQCMHSRKBO-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)indol-7-ol 1-Methyl-9H-pyrido[3,4-b]indol-7-ol hydrochloride dihydrate
Wiley ID SIAL_1HNMR_000474