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ethyl 4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methylphenyl ether
SpectraBase Compound ID 8JomThGjBeT
InChI InChI=1S/C21H22N4O2S/c1-4-26-17-11-10-14(12-13(17)3)19-22-16-9-7-6-8-15(16)18-20(27-19)23-21(25-24-18)28-5-2/h6-12,19,22H,4-5H2,1-3H3
InChIKey BJVRMYAUTWDLKQ-UHFFFAOYSA-N
Mol Weight 394.49 g/mol
Molecular Formula C21H22N4O2S
Exact Mass 394.146347 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ALAegMXZWoh
Name ethyl 4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methylphenyl ether
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/C21H22N4O2S/c1-4-26-17-11-10-14(12-13(17)3)19-22-16-9-7-6-8-15(16)18-20(27-19)23-21(25-24-18)28-5-2/h6-12,19,22H,4-5H2,1-3H3
InChIKey BJVRMYAUTWDLKQ-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7823
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/9017558; UBI_ID: UBI-007826
Synonyms 6-(4-ethoxy-3-methylphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Temperature 308 °C