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2-chloro-6-ethoxy-4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
SpectraBase Compound ID FxShdXnB8aZ
InChI InChI=1S/C23H25ClN4O3S/c1-3-5-8-11-32-23-26-22-19(27-28-23)15-9-6-7-10-17(15)25-21(31-22)14-12-16(24)20(29)18(13-14)30-4-2/h6-7,9-10,12-13,21,25,29H,3-5,8,11H2,1-2H3
InChIKey QCCWVKAVMVDJAB-UHFFFAOYSA-N
Mol Weight 472.99 g/mol
Molecular Formula C23H25ClN4O3S
Exact Mass 472.13359 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9tqrG2L3r7s
Name 2-chloro-6-ethoxy-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/C23H25ClN4O3S/c1-3-5-8-11-32-23-26-22-19(27-28-23)15-9-6-7-10-17(15)25-21(31-22)14-12-16(24)20(29)18(13-14)30-4-2/h6-7,9-10,12-13,21,25,29H,3-5,8,11H2,1-2H3
InChIKey QCCWVKAVMVDJAB-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4991
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/8137999; UBI_ID: UBI-004992
Temperature 313 °C