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6-[4-(benzyloxy)-3-methoxyphenyl]-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SpectraBase Compound ID FqMFt5Bp8kK
InChI InChI=1S/C28H28N4O3S/c1-3-4-16-36-28-30-27-25(31-32-28)21-12-8-9-13-22(21)29-26(35-27)20-14-15-23(24(17-20)33-2)34-18-19-10-6-5-7-11-19/h5-15,17,26,29H,3-4,16,18H2,1-2H3
InChIKey AZPYMAFBZDVOTP-UHFFFAOYSA-N
Mol Weight 500.62 g/mol
Molecular Formula C28H28N4O3S
Exact Mass 500.188212 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID NG4eT95RPw
Name 6-[4-(benzyloxy)-3-methoxyphenyl]-3-(butylsulfanyl)-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/C28H28N4O3S/c1-3-4-16-36-28-30-27-25(31-32-28)21-12-8-9-13-22(21)29-26(35-27)20-14-15-23(24(17-20)33-2)34-18-19-10-6-5-7-11-19/h5-15,17,26,29H,3-4,16,18H2,1-2H3
InChIKey AZPYMAFBZDVOTP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5191
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/8086654; Labnumber: BMW-99005s; UZI_ID: UZI-005193
Temperature 318 °C