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1H-pyrimido[5,4-b]indole-3-propanamide, 2,3,4,5-tetrahydro-8-methoxy-N-[(4-methoxyphenyl)methyl]-4-oxo-2-thioxo-
SpectraBase Compound ID 52We6U3H1gd
InChI InChI=1S/C22H22N4O4S/c1-29-14-5-3-13(4-6-14)12-23-18(27)9-10-26-21(28)20-19(25-22(26)31)16-11-15(30-2)7-8-17(16)24-20/h3-8,11,24H,9-10,12H2,1-2H3,(H,23,27)(H,25,31)
InChIKey BCWLVEOZXKVCIM-UHFFFAOYSA-N
Mol Weight 438.5 g/mol
Molecular Formula C22H22N4O4S
Exact Mass 438.136176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FKgOC7a8cTq
Name 1H-pyrimido[5,4-b]indole-3-propanamide, 2,3,4,5-tetrahydro-8-methoxy-N-[(4-methoxyphenyl)methyl]-4-oxo-2-thioxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.136176374 u
Formula C22H22N4O4S
InChI InChI=1S/C22H22N4O4S/c1-29-14-5-3-13(4-6-14)12-23-18(27)9-10-26-21(28)20-19(25-22(26)31)16-11-15(30-2)7-8-17(16)24-20/h3-8,11,24H,9-10,12H2,1-2H3,(H,23,27)(H,25,31)
InChIKey BCWLVEOZXKVCIM-UHFFFAOYSA-N
Molecular Weight 438.502 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_8865
Solvent DMSO-d6
Source Vendor ID: NMR/13309696