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acetamide, 2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-N-(4-chlorophenyl)-
SpectraBase Compound ID By9AGUqjDax
InChI InChI=1S/C18H13BrClN5OS/c1-25-14-7-2-10(19)8-13(14)16-17(25)22-18(24-23-16)27-9-15(26)21-12-5-3-11(20)4-6-12/h2-8H,9H2,1H3,(H,21,26)
InChIKey GNCXVQRQHVCGGR-UHFFFAOYSA-N
Mol Weight 462.75 g/mol
Molecular Formula C18H13BrClN5OS
Exact Mass 460.971272 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CAsmke4ACTl
Name acetamide, 2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-N-(4-chlorophenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.971271932 u
Formula C18H13BrClN5OS
InChI InChI=1S/C18H13BrClN5OS/c1-25-14-7-2-10(19)8-13(14)16-17(25)22-18(24-23-16)27-9-15(26)21-12-5-3-11(20)4-6-12/h2-8H,9H2,1H3,(H,21,26)
InChIKey GNCXVQRQHVCGGR-UHFFFAOYSA-N
Molecular Weight 462.753 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2145
Solvent DMSO-d6
Source Vendor ID: ZI/9016116; Lab Info: L-23; Lab Number: KUL-0000043