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2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide
SpectraBase Compound ID JFuh4s59kXr
InChI InChI=1S/C21H18BrCl2N3OS/c22-14-5-3-13(4-6-14)19-20(27-21(26-19)7-1-2-8-21)29-12-18(28)25-17-10-15(23)9-16(24)11-17/h3-6,9-11H,1-2,7-8,12H2,(H,25,28)
InChIKey APNNIFCRDJTRGB-UHFFFAOYSA-N
Mol Weight 511.27 g/mol
Molecular Formula C21H18BrCl2N3OS
Exact Mass 508.973102 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2vl7l39SSC0
Name 2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 508.973101785 u
Formula C21H18BrCl2N3OS
InChI InChI=1S/C21H18BrCl2N3OS/c22-14-5-3-13(4-6-14)19-20(27-21(26-19)7-1-2-8-21)29-12-18(28)25-17-10-15(23)9-16(24)11-17/h3-6,9-11H,1-2,7-8,12H2,(H,25,28)
InChIKey APNNIFCRDJTRGB-UHFFFAOYSA-N
Molecular Weight 511.265 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5357
Solvent DMSO-d6
Source Vendor ID: NMR/12319003