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6-[4-[bis(fluoranyl)methoxy]phenyl]-3-[(4-tert-butylphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID Am5kGMuZ3Yh
InChI InChI=1S/C22H22F2N4O2S/c1-22(2,3)15-6-10-16(11-7-15)29-12-19-25-26-21-28(19)27-18(13-31-21)14-4-8-17(9-5-14)30-20(23)24/h4-11,20H,12-13H2,1-3H3
InChIKey RYGOQDCDYWTPPR-UHFFFAOYSA-N
Mol Weight 444.5 g/mol
Molecular Formula C22H22F2N4O2S
Exact Mass 444.143153 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8wA0iuSqEqy
Name 3-[(4-tert-butylphenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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/C22H22F2N4O2S/c1-22(2,3)15-6-10-16(11-7-15)29-12-19-25-26-21-28(19)27-18(13-31-21)14-4-8-17(9-5-14)30-20(23)24/h4-11,20H,12-13H2,1-3H3
InChIKey RYGOQDCDYWTPPR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5589
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: NMR/11221905; Labnumber: 0874; IOH_ID: IOH-005590