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phenyl[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]methanone
SpectraBase Compound ID 6HJVzFThRQ9
InChI InChI=1S/C20H18N4O2S/c1-2-12-27-20-22-18-16(23-24-20)14-10-6-7-11-15(14)21-19(26-18)17(25)13-8-4-3-5-9-13/h3-11,19,21H,2,12H2,1H3
InChIKey XOBAAWLRHOXZHB-UHFFFAOYSA-N
Mol Weight 378.45 g/mol
Molecular Formula C20H18N4O2S
Exact Mass 378.115047 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2PEDviFz53d
Name phenyl[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]methanone
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/C20H18N4O2S/c1-2-12-27-20-22-18-16(23-24-20)14-10-6-7-11-15(14)21-19(26-18)17(25)13-8-4-3-5-9-13/h3-11,19,21H,2,12H2,1H3
InChIKey XOBAAWLRHOXZHB-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_265
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/6193112; UBI_ID: UBI-000266
Temperature 308 °C