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1H-pyrido[4,3-b]indolium, 2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-5-(4-nitrobenzoyl)-, chloride, (4aR,9bR)-
SpectraBase Compound ID 2ziyoY8aO1n
InChI InChI=1S/C20H21N3O3.ClH/c1-13-3-8-18-16(11-13)17-12-21(2)10-9-19(17)22(18)20(24)14-4-6-15(7-5-14)23(25)26;/h3-8,11,17,19H,9-10,12H2,1-2H3;1H
InChIKey BZVMTWHIFBKHPW-UHFFFAOYSA-N
Mol Weight 387.87 g/mol
Molecular Formula C20H22ClN3O3
Exact Mass 387.134969 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KbN294z4Phc
Name 1H-pyrido[4,3-b]indolium, 2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-5-(4-nitrobenzoyl)-, chloride, (4aR,9bR)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.134969277 u
Formula C20H22ClN3O3
InChI InChI=1S/C20H21N3O3.ClH/c1-13-3-8-18-16(11-13)17-12-21(2)10-9-19(17)22(18)20(24)14-4-6-15(7-5-14)23(25)26;/h3-8,11,17,19H,9-10,12H2,1-2H3;1H
InChIKey BZVMTWHIFBKHPW-UHFFFAOYSA-N
Molecular Weight 387.867 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1016
Solvent DMSO-d6
Source Vendor ID: ZI/8054926; Lab Info: AGA; Lab Number: AGA-000899