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3-Fluoranyl-N-[5-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-imidazolidin-1-yl]benzamide

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3-Fluoranyl-N-[5-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-imidazolidin-1-yl]benzamide
SpectraBase Compound ID IqqB2f2a6pT
InChI InChI=1S/C26H23FN4O4S/c1-35-21-12-10-20(11-13-21)28-23(32)15-22-25(34)30(16-17-6-3-2-4-7-17)26(36)31(22)29-24(33)18-8-5-9-19(27)14-18/h2-14,22H,15-16H2,1H3,(H,28,32)(H,29,33)
InChIKey IBRQSQHZMJYWDR-UHFFFAOYSA-N
Mol Weight 506.55 g/mol
Molecular Formula C26H23FN4O4S
Exact Mass 506.142405 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3VWCrhUYilx
Name N-{3-benzyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-thioxo-1-imidazolidinyl}-3-fluorobenzamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C26H23FN4O4S/c1-35-21-12-10-20(11-13-21)28-23(32)15-22-25(34)30(16-17-6-3-2-4-7-17)26(36)31(22)29-24(33)18-8-5-9-19(27)14-18/h2-14,22H,15-16H2,1H3,(H,28,32)(H,29,33)
InChIKey IBRQSQHZMJYWDR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2293
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D02372; Labnumber: MPOL-11104; SBI_ID: SBI-002295
Temperature 318 °C