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5H-[1,2,4]triazino[5,6-b]indole, 8-bromo-5-methyl-3-[[2-(4-morpholinyl)ethyl]thio]-
SpectraBase Compound ID 190wNDP7cKt
InChI InChI=1S/C16H18BrN5OS/c1-21-13-3-2-11(17)10-12(13)14-15(21)18-16(20-19-14)24-9-6-22-4-7-23-8-5-22/h2-3,10H,4-9H2,1H3
InChIKey AQOSBQYTQABLTH-UHFFFAOYSA-N
Mol Weight 408.32 g/mol
Molecular Formula C16H18BrN5OS
Exact Mass 407.041544 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2TkQShiM78L
Name 5H-[1,2,4]triazino[5,6-b]indole, 8-bromo-5-methyl-3-[[2-(4-morpholinyl)ethyl]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 407.041544393 u
Formula C16H18BrN5OS
InChI InChI=1S/C16H18BrN5OS/c1-21-13-3-2-11(17)10-12(13)14-15(21)18-16(20-19-14)24-9-6-22-4-7-23-8-5-22/h2-3,10H,4-9H2,1H3
InChIKey AQOSBQYTQABLTH-UHFFFAOYSA-N
Molecular Weight 408.318 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2059
Solvent DMSO-d6
Source Vendor ID: NMR/9236182; Lab Info: L-23; Lab Number: KUL-0000041