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acetamide, 2-[[3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3,4-dihydro-4-oxo-2-quinazolinyl]thio]-N-[3-(trifluoromethyl)phenyl]-

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acetamide, 2-[[3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3,4-dihydro-4-oxo-2-quinazolinyl]thio]-N-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID 3QPeYWihhHp
InChI InChI=1S/C26H20F3N3O4S/c27-26(28,29)16-6-5-7-17(12-16)30-23(33)15-37-25-31-20-9-2-1-8-19(20)24(34)32(25)13-18-14-35-21-10-3-4-11-22(21)36-18/h1-12,18H,13-15H2,(H,30,33)
InChIKey PQWMQGBPUFUVDE-UHFFFAOYSA-N
Mol Weight 527.52 g/mol
Molecular Formula C26H20F3N3O4S
Exact Mass 527.112662 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EtU8kSG3cnP
Name acetamide, 2-[[3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3,4-dihydro-4-oxo-2-quinazolinyl]thio]-N-[3-(trifluoromethyl)phenyl]-
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/C26H20F3N3O4S/c27-26(28,29)16-6-5-7-17(12-16)30-23(33)15-37-25-31-20-9-2-1-8-19(20)24(34)32(25)13-18-14-35-21-10-3-4-11-22(21)36-18/h1-12,18H,13-15H2,(H,30,33)
InChIKey PQWMQGBPUFUVDE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7310
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/10328807