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2-bromo-6-methoxy-4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
SpectraBase Compound ID 9TRRRN68pvD
InChI InChI=1S/C22H23BrN4O3S/c1-3-4-7-10-31-22-25-21-18(26-27-22)14-8-5-6-9-16(14)24-20(30-21)13-11-15(23)19(28)17(12-13)29-2/h5-6,8-9,11-12,20,24,28H,3-4,7,10H2,1-2H3
InChIKey IEXANLHJVPKOBV-UHFFFAOYSA-N
Mol Weight 503.42 g/mol
Molecular Formula C22H23BrN4O3S
Exact Mass 502.067425 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1I1NBO1ILBh
Name 2-bromo-6-methoxy-4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
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/C22H23BrN4O3S/c1-3-4-7-10-31-22-25-21-18(26-27-22)14-8-5-6-9-16(14)24-20(30-21)13-11-15(23)19(28)17(12-13)29-2/h5-6,8-9,11-12,20,24,28H,3-4,7,10H2,1-2H3
InChIKey IEXANLHJVPKOBV-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16350
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/8106415; UBI_ID: UBI-016353
Temperature 313 °C