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ethyl 2-methyl-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl ether
SpectraBase Compound ID 77CKZl7DEk7
InChI InChI=1S/C20H20N4O2S/c1-4-25-16-10-9-13(11-12(16)2)18-21-15-8-6-5-7-14(15)17-19(26-18)22-20(27-3)24-23-17/h5-11,18,21H,4H2,1-3H3
InChIKey APKSWZBTPBSHOJ-UHFFFAOYSA-N
Mol Weight 380.47 g/mol
Molecular Formula C20H20N4O2S
Exact Mass 380.130697 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 14KPFdOIg8u
Name ethyl 2-methyl-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl 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/C20H20N4O2S/c1-4-25-16-10-9-13(11-12(16)2)18-21-15-8-6-5-7-14(15)17-19(26-18)22-20(27-3)24-23-17/h5-11,18,21H,4H2,1-3H3
InChIKey APKSWZBTPBSHOJ-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6809
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/8188303; UBI_ID: UBI-006811
Synonyms 6-(4-ethoxy-3-methylphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Temperature 308 °C