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2-ethoxy-4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-iodophenol
SpectraBase Compound ID 6dFC3Z1s7R5
InChI InChI=1S/C20H19IN4O3S/c1-3-27-15-10-11(9-13(21)17(15)26)18-22-14-8-6-5-7-12(14)16-19(28-18)23-20(25-24-16)29-4-2/h5-10,18,22,26H,3-4H2,1-2H3
InChIKey YPFSTRBMPIBXRR-UHFFFAOYSA-N
Mol Weight 522.36 g/mol
Molecular Formula C20H19IN4O3S
Exact Mass 522.022257 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DcHPHL1dvXE
Name 2-ethoxy-4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-iodophenol
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/C20H19IN4O3S/c1-3-27-15-10-11(9-13(21)17(15)26)18-22-14-8-6-5-7-12(14)16-19(28-18)23-20(25-24-16)29-4-2/h5-10,18,22,26H,3-4H2,1-2H3
InChIKey YPFSTRBMPIBXRR-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5380
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/8154854; UBI_ID: UBI-005382
Temperature 313 °C