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6-(4-ethylphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SpectraBase Compound ID It6kBoUHvVm
InChI InChI=1S/C20H20N4OS/c1-3-13-9-11-14(12-10-13)18-21-16-8-6-5-7-15(16)17-19(25-18)22-20(24-23-17)26-4-2/h5-12,18,21H,3-4H2,1-2H3
InChIKey BEZUOEBCZDLUNP-UHFFFAOYSA-N
Mol Weight 364.47 g/mol
Molecular Formula C20H20N4OS
Exact Mass 364.135782 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ByB7NYjqJPf
Name 6-(4-ethylphenyl)-3-(ethylsulfanyl)-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/C20H20N4OS/c1-3-13-9-11-14(12-10-13)18-21-16-8-6-5-7-15(16)17-19(25-18)22-20(24-23-17)26-4-2/h5-12,18,21H,3-4H2,1-2H3
InChIKey BEZUOEBCZDLUNP-UHFFFAOYSA-N
NMR Offset 17.4525
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16039
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/8064872; UBI_ID: UBI-016042
Synonyms ethyl 6-(4-ethylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide
Temperature 313 °C