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2-{[3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
SpectraBase Compound ID KWr3VKiuonC
InChI InChI=1S/C22H21Cl2N3O2S/c1-29-16-7-5-15(6-8-16)25-19(28)13-30-21-20(14-4-9-17(23)18(24)12-14)26-22(27-21)10-2-3-11-22/h4-9,12H,2-3,10-11,13H2,1H3,(H,25,28)
InChIKey KEMAOYIEZPSQJL-UHFFFAOYSA-N
Mol Weight 462.4 g/mol
Molecular Formula C22H21Cl2N3O2S
Exact Mass 461.073154 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G40cCCbYagD
Name 2-{[3-(3,4-dichlorophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}-N-(4-methoxyphenyl)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 461.073153500 u
Formula C22H21Cl2N3O2S
InChI InChI=1S/C22H21Cl2N3O2S/c1-29-16-7-5-15(6-8-16)25-19(28)13-30-21-20(14-4-9-17(23)18(24)12-14)26-22(27-21)10-2-3-11-22/h4-9,12H,2-3,10-11,13H2,1H3,(H,25,28)
InChIKey KEMAOYIEZPSQJL-UHFFFAOYSA-N
Molecular Weight 462.395 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6784
Solvent DMSO-d6
Source Vendor ID: NMR/12329135