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3-(ethylsulfanyl)-6-[3-(pentyloxy)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SpectraBase Compound ID HBwfI57tlfv
InChI InChI=1S/C23H26N4O2S/c1-3-5-8-14-28-17-11-9-10-16(15-17)21-24-19-13-7-6-12-18(19)20-22(29-21)25-23(27-26-20)30-4-2/h6-7,9-13,15,21,24H,3-5,8,14H2,1-2H3
InChIKey SHSLXSVMOXTWBI-UHFFFAOYSA-N
Mol Weight 422.55 g/mol
Molecular Formula C23H26N4O2S
Exact Mass 422.177647 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KTdR0QF5a6j
Name 3-(ethylsulfanyl)-6-[3-(pentyloxy)phenyl]-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/C23H26N4O2S/c1-3-5-8-14-28-17-11-9-10-16(15-17)21-24-19-13-7-6-12-18(19)20-22(29-21)25-23(27-26-20)30-4-2/h6-7,9-13,15,21,24H,3-5,8,14H2,1-2H3
InChIKey SHSLXSVMOXTWBI-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6357
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/8181596; UBI_ID: UBI-006359
Synonyms 3-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl pentyl ether
Temperature 308 °C