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2-(5-{[1,4'-bipiperidin]-1'-yl}-5-oxopentyl)-6-methoxy-3-sulfanylidene-1H,2H,3H,4H,9H-indeno[2,1-c]pyridin-1-one
SpectraBase Compound ID Kv9zf41EDPm
InChI InChI=1S/C26H35N5O3S/c1-34-19-8-9-21-20(17-19)23-24(27-21)25(33)31(26(35)28-23)14-6-3-7-22(32)30-15-10-18(11-16-30)29-12-4-2-5-13-29/h8-9,17-18,27H,2-7,10-16H2,1H3,(H,28,35)
InChIKey JCBKXEWYUGETDV-UHFFFAOYSA-N
Mol Weight 497.7 g/mol
Molecular Formula C26H35N5O3S
Exact Mass 497.246061 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BkxbfIgqPL
Name 2-(5-{[1,4'-bipiperidin]-1'-yl}-5-oxopentyl)-6-methoxy-3-sulfanylidene-1H,2H,3H,4H,9H-indeno[2,1-c]pyridin-1-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 497.246061178 u
Formula C26H35N5O3S
InChI InChI=1S/C26H35N5O3S/c1-34-19-8-9-21-20(17-19)23-24(27-21)25(33)31(26(35)28-23)14-6-3-7-22(32)30-15-10-18(11-16-30)29-12-4-2-5-13-29/h8-9,17-18,27H,2-7,10-16H2,1H3,(H,28,35)
InChIKey JCBKXEWYUGETDV-UHFFFAOYSA-N
Molecular Weight 497.658 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6457
Solvent DMSO-d6
Source Vendor ID: NMR/13289668