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2-{[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
SpectraBase Compound ID LXBI7zCtWmy
InChI InChI=1S/C26H28N4O2S/c1-3-18-8-6-7-15-29(18)22(31)16-33-26-28-23-20-9-4-5-10-21(20)27-24(23)25(32)30(26)19-13-11-17(2)12-14-19/h4-5,9-14,18,27H,3,6-8,15-16H2,1-2H3
InChIKey BVTDLEQYCFOGGE-UHFFFAOYSA-N
Mol Weight 460.6 g/mol
Molecular Formula C26H28N4O2S
Exact Mass 460.193297 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CDAc2FapVKX
Name 2-{[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.193297330 u
Formula C26H28N4O2S
InChI InChI=1S/C26H28N4O2S/c1-3-18-8-6-7-15-29(18)22(31)16-33-26-28-23-20-9-4-5-10-21(20)27-24(23)25(32)30(26)19-13-11-17(2)12-14-19/h4-5,9-14,18,27H,3,6-8,15-16H2,1-2H3
InChIKey BVTDLEQYCFOGGE-UHFFFAOYSA-N
Molecular Weight 460.596 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8643
Solvent DMSO-d6
Source Vendor ID: NMR/13219934