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acetamide, 2-[[3-cyano-1,4,5,6-tetrahydro-4-(4-methoxyphenyl)-6-oxo-2-pyridinyl]thio]-N-(4-iodophenyl)-
SpectraBase Compound ID EPQ3bt53DQP
InChI InChI=1S/C21H18IN3O3S/c1-28-16-8-2-13(3-9-16)17-10-19(26)25-21(18(17)11-23)29-12-20(27)24-15-6-4-14(22)5-7-15/h2-9,17H,10,12H2,1H3,(H,24,27)(H,25,26)
InChIKey SOZCAVQSQPFFOL-UHFFFAOYSA-N
Mol Weight 519.36 g/mol
Molecular Formula C21H18IN3O3S
Exact Mass 519.011358 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6SfE0Bs3tUY
Name acetamide, 2-[[3-cyano-1,4,5,6-tetrahydro-4-(4-methoxyphenyl)-6-oxo-2-pyridinyl]thio]-N-(4-iodophenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 519.011357623 u
Formula C21H18IN3O3S
InChI InChI=1S/C21H18IN3O3S/c1-28-16-8-2-13(3-9-16)17-10-19(26)25-21(18(17)11-23)29-12-20(27)24-15-6-4-14(22)5-7-15/h2-9,17H,10,12H2,1H3,(H,24,27)(H,25,26)
InChIKey SOZCAVQSQPFFOL-UHFFFAOYSA-N
Molecular Weight 519.357 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10512
Solvent DMSO-d6
Source Vendor ID: NMR/10251761; Lab Info: KR; Lab Number: KR-KK00017