For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
6-[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SpectraBase Compound ID HHl3LDrJsCK
InChI InChI=1S/C27H25ClN4O3S/c1-3-33-22-15-18(14-20(28)24(22)34-16-17-10-6-5-7-11-17)25-29-21-13-9-8-12-19(21)23-26(35-25)30-27(32-31-23)36-4-2/h5-15,25,29H,3-4,16H2,1-2H3
InChIKey AJVRSSPQJYMXIS-UHFFFAOYSA-N
Mol Weight 521.04 g/mol
Molecular Formula C27H25ClN4O3S
Exact Mass 520.13359 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6NokjXDmUON
Name 6-[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]-3-(ethylsulfanyl)-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/C27H25ClN4O3S/c1-3-33-22-15-18(14-20(28)24(22)34-16-17-10-6-5-7-11-17)25-29-21-13-9-8-12-19(21)23-26(35-25)30-27(32-31-23)36-4-2/h5-15,25,29H,3-4,16H2,1-2H3
InChIKey AJVRSSPQJYMXIS-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5418
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/8158195; UBI_ID: UBI-005420
Temperature 308 °C