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[1,4]dioxino[2,3-g]isoquinolinium, 6-(4-ethylphenyl)-2,3,6,7,8,9-hexahydro-, chloride
SpectraBase Compound ID 8fhMYZWJOoI
InChI InChI=1S/C19H21NO2.ClH/c1-2-13-3-5-14(6-4-13)19-16-12-18-17(21-9-10-22-18)11-15(16)7-8-20-19;/h3-6,11-12,19-20H,2,7-10H2,1H3;1H
InChIKey KLGJWGOLUXLUAH-UHFFFAOYSA-N
Mol Weight 331.84 g/mol
Molecular Formula C19H22ClNO2
Exact Mass 331.133907 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4I8peChwfYn
Name [1,4]dioxino[2,3-g]isoquinolinium, 6-(4-ethylphenyl)-2,3,6,7,8,9-hexahydro-, chloride
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.133906650 u
Formula C19H22ClNO2
InChI InChI=1S/C19H21NO2.ClH/c1-2-13-3-5-14(6-4-13)19-16-12-18-17(21-9-10-22-18)11-15(16)7-8-20-19;/h3-6,11-12,19-20H,2,7-10H2,1H3;1H
InChIKey KLGJWGOLUXLUAH-UHFFFAOYSA-N
Molecular Weight 331.843 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14743
Solvent DMSO-d6
Source Vendor ID: NMR/10320709; Lab Info: GRI; Lab Number: GRI-0101004