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acetamide, N-[4-(aminosulfonyl)phenyl]-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]-
SpectraBase Compound ID 94tx9E8ELwB
InChI InChI=1S/C19H20N4O3S2/c20-11-14-10-13-4-2-1-3-5-17(13)23-19(14)27-12-18(24)22-15-6-8-16(9-7-15)28(21,25)26/h6-10H,1-5,12H2,(H,22,24)(H2,21,25,26)
InChIKey OCRASINPRVHTDY-UHFFFAOYSA-N
Mol Weight 416.51 g/mol
Molecular Formula C19H20N4O3S2
Exact Mass 416.097683 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5qRMP83BeBx
Name acetamide, N-[4-(aminosulfonyl)phenyl]-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-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 416.097682865 u
Formula C19H20N4O3S2
InChI InChI=1S/C19H20N4O3S2/c20-11-14-10-13-4-2-1-3-5-17(13)23-19(14)27-12-18(24)22-15-6-8-16(9-7-15)28(21,25)26/h6-10H,1-5,12H2,(H,22,24)(H2,21,25,26)
InChIKey OCRASINPRVHTDY-UHFFFAOYSA-N
Molecular Weight 416.514 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5379
Solvent DMSO-d6
Source Vendor ID: NMR/9296415; Lab Info: NKS; Lab Number: NKS-aca0091