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6-[5-(5-chloro-2-methylphenyl)-2-furyl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SpectraBase Compound ID Bb49c5XtKAQ
InChI InChI=1S/C22H17ClN4O2S/c1-12-7-8-13(23)11-15(12)17-9-10-18(28-17)20-24-16-6-4-3-5-14(16)19-21(29-20)25-22(30-2)27-26-19/h3-11,20,24H,1-2H3
InChIKey FXDHQCLSKGXAJF-UHFFFAOYSA-N
Mol Weight 436.92 g/mol
Molecular Formula C22H17ClN4O2S
Exact Mass 436.076075 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DLToKMYKa3U
Name 6-[5-(5-chloro-2-methylphenyl)-2-furyl]-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/C22H17ClN4O2S/c1-12-7-8-13(23)11-15(12)17-9-10-18(28-17)20-24-16-6-4-3-5-14(16)19-21(29-20)25-22(30-2)27-26-19/h3-11,20,24H,1-2H3
InChIKey FXDHQCLSKGXAJF-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5806
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/8175253; UBI_ID: UBI-005808
Synonyms 6-[5-(5-chloro-2-methylphenyl)-2-furyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl methyl sulfide
Temperature 308 °C