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ethyl 4-{5-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-furyl}benzoate
SpectraBase Compound ID DJgWAo1YxpV
InChI InChI=1S/C25H22N4O4S/c1-3-31-24(30)16-11-9-15(10-12-16)19-13-14-20(32-19)22-26-18-8-6-5-7-17(18)21-23(33-22)27-25(29-28-21)34-4-2/h5-14,22,26H,3-4H2,1-2H3
InChIKey XEGSDWKUSOOYBR-UHFFFAOYSA-N
Mol Weight 474.54 g/mol
Molecular Formula C25H22N4O4S
Exact Mass 474.136176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cx4lsOnVGcj
Name ethyl 4-{5-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-furyl}benzoate
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/C25H22N4O4S/c1-3-31-24(30)16-11-9-15(10-12-16)19-13-14-20(32-19)22-26-18-8-6-5-7-17(18)21-23(33-22)27-25(29-28-21)34-4-2/h5-14,22,26H,3-4H2,1-2H3
InChIKey XEGSDWKUSOOYBR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16655
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/8157882; UBI_ID: UBI-016658
Temperature 308 °C