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N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-2-hydroxy-3-(4-nitrophenoxy)-1-propanaminium chloride
SpectraBase Compound ID Den2WQSymQJ
InChI InChI=1S/C23H30N2O6.ClH/c1-29-21-10-5-17(13-22(21)30-2)23(11-3-4-12-23)16-24-14-19(26)15-31-20-8-6-18(7-9-20)25(27)28;/h5-10,13,19,24,26H,3-4,11-12,14-16H2,1-2H3;1H
InChIKey PXMIAMMGHIJUMH-UHFFFAOYSA-N
Mol Weight 466.96 g/mol
Molecular Formula C23H31ClN2O6
Exact Mass 466.187064 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CPIajkJBjQw
Name N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-2-hydroxy-3-(4-nitrophenoxy)-1-propanaminium 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 466.187064420 u
Formula C23H31ClN2O6
InChI InChI=1S/C23H30N2O6.ClH/c1-29-21-10-5-17(13-22(21)30-2)23(11-3-4-12-23)16-24-14-19(26)15-31-20-8-6-18(7-9-20)25(27)28;/h5-10,13,19,24,26H,3-4,11-12,14-16H2,1-2H3;1H
InChIKey PXMIAMMGHIJUMH-UHFFFAOYSA-N
Molecular Weight 466.962 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1393
Solvent DMSO-d6
Source Vendor ID: NMR/12269707