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6-[5-(5-chloro-2-methylphenyl)-2-furyl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SpectraBase Compound ID 58a7QEendZ5
InChI InChI=1S/C23H19ClN4O2S/c1-3-31-23-26-22-20(27-28-23)15-6-4-5-7-17(15)25-21(30-22)19-11-10-18(29-19)16-12-14(24)9-8-13(16)2/h4-12,21,25H,3H2,1-2H3
InChIKey YPNKNIPCZCFUJG-UHFFFAOYSA-N
Mol Weight 450.94 g/mol
Molecular Formula C23H19ClN4O2S
Exact Mass 450.091725 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5LPYp0D2YTC
Name 6-[5-(5-chloro-2-methylphenyl)-2-furyl]-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/C23H19ClN4O2S/c1-3-31-23-26-22-20(27-28-23)15-6-4-5-7-17(15)25-21(30-22)19-11-10-18(29-19)16-12-14(24)9-8-13(16)2/h4-12,21,25H,3H2,1-2H3
InChIKey YPNKNIPCZCFUJG-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7204
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/8195319; UBI_ID: UBI-007207
Synonyms 6-[5-(5-chloro-2-methylphenyl)-2-furyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl ethyl sulfide
Temperature 308 °C