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N-(5-methyl-3-isoxazolyl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
SpectraBase Compound ID L3WZtKH9bIS
InChI InChI=1S/C18H18N6O2S/c1-4-13(17(25)19-14-9-10(2)26-23-14)27-18-20-16-15(21-22-18)11-7-5-6-8-12(11)24(16)3/h5-9,13H,4H2,1-3H3,(H,19,23,25)
InChIKey MNDGZSRWVSHQIV-UHFFFAOYSA-N
Mol Weight 382.44 g/mol
Molecular Formula C18H18N6O2S
Exact Mass 382.121195 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3913W7PLzvP
Name N-(5-methyl-3-isoxazolyl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H18N6O2S/c1-4-13(17(25)19-14-9-10(2)26-23-14)27-18-20-16-15(21-22-18)11-7-5-6-8-12(11)24(16)3/h5-9,13H,4H2,1-3H3,(H,19,23,25)
InChIKey MNDGZSRWVSHQIV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12555
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9123026; UBI_ID: UBI-012558
Temperature 308 °C