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[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](4-methoxyphenyl)methanone
SpectraBase Compound ID 40PHjXpkHeR
InChI InChI=1S/C22H22N4O3S/c1-3-4-13-30-22-24-20-18(25-26-22)16-7-5-6-8-17(16)23-21(29-20)19(27)14-9-11-15(28-2)12-10-14/h5-12,21,23H,3-4,13H2,1-2H3
InChIKey LZZVEUBSAZVGES-UHFFFAOYSA-N
Mol Weight 422.5 g/mol
Molecular Formula C22H22N4O3S
Exact Mass 422.141262 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8ldUfokgiMq
Name [3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](4-methoxyphenyl)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/C22H22N4O3S/c1-3-4-13-30-22-24-20-18(25-26-22)16-7-5-6-8-17(16)23-21(29-20)19(27)14-9-11-15(28-2)12-10-14/h5-12,21,23H,3-4,13H2,1-2H3
InChIKey LZZVEUBSAZVGES-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5439
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/8159972; UBI_ID: UBI-005441
Temperature 308 °C