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2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide
SpectraBase Compound ID 13BPOGcXUzU
InChI InChI=1S/C25H20N4O2S/c1-16-11-13-18(14-12-16)29-24(31)23-22(19-9-5-6-10-20(19)27-23)28-25(29)32-15-21(30)26-17-7-3-2-4-8-17/h2-14,27H,15H2,1H3,(H,26,30)
InChIKey WDSGYSQEHUMDSB-UHFFFAOYSA-N
Mol Weight 440.52 g/mol
Molecular Formula C25H20N4O2S
Exact Mass 440.130697 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LTE4CMUnmvG
Name 2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.130697072 u
Formula C25H20N4O2S
InChI InChI=1S/C25H20N4O2S/c1-16-11-13-18(14-12-16)29-24(31)23-22(19-9-5-6-10-20(19)27-23)28-25(29)32-15-21(30)26-17-7-3-2-4-8-17/h2-14,27H,15H2,1H3,(H,26,30)
InChIKey WDSGYSQEHUMDSB-UHFFFAOYSA-N
Molecular Weight 440.521 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8644
Solvent DMSO-d6
Source Vendor ID: NMR/13219935