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acetamide, N-(4-bromophenyl)-2-[(1,5-dicyano-8-methyl-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl)thio]-
SpectraBase Compound ID BW6ZlsZTL5e
InChI InChI=1S/C21H21BrN4O2S/c1-13-3-2-8-21(9-13)16(10-23)19(28)26-20(17(21)11-24)29-12-18(27)25-15-6-4-14(22)5-7-15/h4-7,13,16H,2-3,8-9,12H2,1H3,(H,25,27)(H,26,28)
InChIKey XFIYGHNQXGHJBV-UHFFFAOYSA-N
Mol Weight 473.39 g/mol
Molecular Formula C21H21BrN4O2S
Exact Mass 472.05686 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7rDgsdoTtM3
Name acetamide, N-(4-bromophenyl)-2-[(1,5-dicyano-8-methyl-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl)thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.056860104 u
Formula C21H21BrN4O2S
InChI InChI=1S/C21H21BrN4O2S/c1-13-3-2-8-21(9-13)16(10-23)19(28)26-20(17(21)11-24)29-12-18(27)25-15-6-4-14(22)5-7-15/h4-7,13,16H,2-3,8-9,12H2,1H3,(H,25,27)(H,26,28)
InChIKey XFIYGHNQXGHJBV-UHFFFAOYSA-N
Molecular Weight 473.389 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1792
Solvent DMSO-d6
Source Vendor ID: ZI/8127315; Lab Info: DVD; Lab Number: DVD-0000176
Temperature 29.85 °C