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1H-pyrimido[5,4-b]indole-3-pentanamide, N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydro-8-methoxy-4-oxo-2-thioxo-
SpectraBase Compound ID IQTLR9lYhEH
InChI InChI=1S/C24H26N4O3S/c1-14-7-8-16(12-15(14)2)25-20(29)6-4-5-11-28-23(30)22-21(27-24(28)32)18-13-17(31-3)9-10-19(18)26-22/h7-10,12-13,26H,4-6,11H2,1-3H3,(H,25,29)(H,27,32)
InChIKey GPWAKTMOGMDUNY-UHFFFAOYSA-N
Mol Weight 450.56 g/mol
Molecular Formula C24H26N4O3S
Exact Mass 450.172562 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6xLyEwR7Q3Q
Name 1H-pyrimido[5,4-b]indole-3-pentanamide, N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydro-8-methoxy-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 450.172561884 u
Formula C24H26N4O3S
InChI InChI=1S/C24H26N4O3S/c1-14-7-8-16(12-15(14)2)25-20(29)6-4-5-11-28-23(30)22-21(27-24(28)32)18-13-17(31-3)9-10-19(18)26-22/h7-10,12-13,26H,4-6,11H2,1-3H3,(H,25,29)(H,27,32)
InChIKey GPWAKTMOGMDUNY-UHFFFAOYSA-N
Molecular Weight 450.557 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6494
Solvent DMSO-d6
Source Vendor ID: NMR/13289731