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6-(4-ethylphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SpectraBase Compound ID BUMAxO0pyBs
InChI InChI=1S/C19H18N4OS/c1-3-12-8-10-13(11-9-12)17-20-15-7-5-4-6-14(15)16-18(24-17)21-19(25-2)23-22-16/h4-11,17,20H,3H2,1-2H3
InChIKey KMRVPCQXBLNYKO-UHFFFAOYSA-N
Mol Weight 350.44 g/mol
Molecular Formula C19H18N4OS
Exact Mass 350.120132 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7BgZAhCwHTD
Name 6-(4-ethylphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
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/C19H18N4OS/c1-3-12-8-10-13(11-9-12)17-20-15-7-5-4-6-14(15)16-18(24-17)21-19(25-2)23-22-16/h4-11,17,20H,3H2,1-2H3
InChIKey KMRVPCQXBLNYKO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15823
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/8037187; UBI_ID: UBI-015826
Synonyms 6-(4-ethylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl methyl sulfide
Temperature 308 °C