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2-iodo-6-methoxy-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
SpectraBase Compound ID HMe0rmEmix1
InChI InChI=1S/C18H15IN4O3S/c1-25-13-8-9(7-11(19)15(13)24)16-20-12-6-4-3-5-10(12)14-17(26-16)21-18(27-2)23-22-14/h3-8,16,20,24H,1-2H3
InChIKey KKEDKDJHBWBKDM-UHFFFAOYSA-N
Mol Weight 494.31 g/mol
Molecular Formula C18H15IN4O3S
Exact Mass 493.990957 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4yQr6dbQ0L1
Name 2-iodo-6-methoxy-4-[3-(methylsulfanyl)-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/C18H15IN4O3S/c1-25-13-8-9(7-11(19)15(13)24)16-20-12-6-4-3-5-10(12)14-17(26-16)21-18(27-2)23-22-14/h3-8,16,20,24H,1-2H3
InChIKey KKEDKDJHBWBKDM-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4303
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/8117059; UBI_ID: UBI-004304
Temperature 308 °C