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1H-pyrido[3,4-b]indolium, 1-(3,5-dichloro-2-hydroxyphenyl)-2,3,4,9-tetrahydro-6-methoxy-, chloride
SpectraBase Compound ID 8dfcoIEnY3K
InChI InChI=1S/C18H16Cl2N2O2.ClH/c1-24-10-2-3-15-12(8-10)11-4-5-21-16(17(11)22-15)13-6-9(19)7-14(20)18(13)23;/h2-3,6-8,16,21-23H,4-5H2,1H3;1H
InChIKey OSYBZNUJQSRQMZ-UHFFFAOYSA-N
Mol Weight 399.71 g/mol
Molecular Formula C18H17Cl3N2O2
Exact Mass 398.035561 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4FbgKS0ZIgD
Name 1H-pyrido[3,4-b]indolium, 1-(3,5-dichloro-2-hydroxyphenyl)-2,3,4,9-tetrahydro-6-methoxy-, 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 398.035560893 u
Formula C18H17Cl3N2O2
InChI InChI=1S/C18H16Cl2N2O2.ClH/c1-24-10-2-3-15-12(8-10)11-4-5-21-16(17(11)22-15)13-6-9(19)7-14(20)18(13)23;/h2-3,6-8,16,21-23H,4-5H2,1H3;1H
InChIKey OSYBZNUJQSRQMZ-UHFFFAOYSA-N
Molecular Weight 399.705 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_8242
Solvent DMSO-d6
Source Vendor ID: NMR/13307919; Lab Info: SF; Lab Number: SF-ER00013