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butanamide, N-(5-chloro-2-pyridinyl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-
SpectraBase Compound ID ItkFEAfwefQ
InChI InChI=1S/C19H17ClN6OS/c1-3-14(18(27)22-15-9-8-11(20)10-21-15)28-19-23-17-16(24-25-19)12-6-4-5-7-13(12)26(17)2/h4-10,14H,3H2,1-2H3,(H,21,22,27)
InChIKey KCDMYJYWSJKLDJ-UHFFFAOYSA-N
Mol Weight 412.9 g/mol
Molecular Formula C19H17ClN6OS
Exact Mass 412.087308 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cs93ORYC4O2
Name butanamide, N-(5-chloro-2-pyridinyl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-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 412.087308064 u
Formula C19H17ClN6OS
InChI InChI=1S/C19H17ClN6OS/c1-3-14(18(27)22-15-9-8-11(20)10-21-15)28-19-23-17-16(24-25-19)12-6-4-5-7-13(12)26(17)2/h4-10,14H,3H2,1-2H3,(H,21,22,27)
InChIKey KCDMYJYWSJKLDJ-UHFFFAOYSA-N
Molecular Weight 412.899 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1170
Solvent DMSO-d6
Source Vendor ID: ZI/8047262; Lab Info: L-23,Ezhova; Lab Number: L-23/0005639