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(5-chloro-2-hydroxy-4-methylphenyl)[3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepin-7-yl]methanone

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(5-chloro-2-hydroxy-4-methylphenyl)[3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepin-7-yl]methanone
SpectraBase Compound ID HmFJkUFT9f1
InChI InChI=1S/C18H12ClN5O2S/c1-10-6-15(25)13(7-14(10)19)16(26)12-8-21-24-17(11-2-4-20-5-3-11)22-23-18(24)27-9-12/h2-9,25H,1H3
InChIKey DHDGGFGLFAHYHO-UHFFFAOYSA-N
Mol Weight 397.84 g/mol
Molecular Formula C18H12ClN5O2S
Exact Mass 397.040024 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CAzyEBnv0JC
Name (5-chloro-2-hydroxy-4-methylphenyl)[3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepin-7-yl]methanone
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/C18H12ClN5O2S/c1-10-6-15(25)13(7-14(10)19)16(26)12-8-21-24-17(11-2-4-20-5-3-11)22-23-18(24)27-9-12/h2-9,25H,1H3
InChIKey DHDGGFGLFAHYHO-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_14369
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: 766/555827; Labnumber: 766/555827218889; VK_ID: VK-014374
Temperature 308 °C