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2H-1-benzopyran-8-methanaminium, 3-(3,4-dimethoxyphenyl)-7-hydroxy-N-(2-methylpropyl)-2-oxo-, chloride

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2H-1-benzopyran-8-methanaminium, 3-(3,4-dimethoxyphenyl)-7-hydroxy-N-(2-methylpropyl)-2-oxo-, chloride
SpectraBase Compound ID 64seA819GQI
InChI InChI=1S/C22H25NO5.ClH/c1-13(2)11-23-12-17-18(24)7-5-15-9-16(22(25)28-21(15)17)14-6-8-19(26-3)20(10-14)27-4;/h5-10,13,23-24H,11-12H2,1-4H3;1H
InChIKey LGNQBJVUQBQISJ-UHFFFAOYSA-N
Mol Weight 419.91 g/mol
Molecular Formula C22H26ClNO5
Exact Mass 419.149951 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I5pY9jHhCWf
Name 2H-1-benzopyran-8-methanaminium, 3-(3,4-dimethoxyphenyl)-7-hydroxy-N-(2-methylpropyl)-2-oxo-, chloride
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H25NO5.ClH/c1-13(2)11-23-12-17-18(24)7-5-15-9-16(22(25)28-21(15)17)14-6-8-19(26-3)20(10-14)27-4;/h5-10,13,23-24H,11-12H2,1-4H3;1H
InChIKey LGNQBJVUQBQISJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10352
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: F37451; Labnumber: ExLabGarProb318
Temperature 315 °C