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6,6-dimethyl-9-[4-(trifluoromethyl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
SpectraBase Compound ID LBvqyQgwLGW
InChI InChI=1S/C18H17F3N4O/c1-17(2)7-12-14(13(26)8-17)15(25-16(24-12)22-9-23-25)10-3-5-11(6-4-10)18(19,20)21/h3-6,9,15H,7-8H2,1-2H3,(H,22,23,24)
InChIKey ZKIDLZUXOXQDTH-UHFFFAOYSA-N
Mol Weight 362.36 g/mol
Molecular Formula C18H17F3N4O
Exact Mass 362.135446 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BmZvw9gwn8M
Name 6,6-dimethyl-9-[4-(trifluoromethyl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
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/C18H17F3N4O/c1-17(2)7-12-14(13(26)8-17)15(25-16(24-12)22-9-23-25)10-3-5-11(6-4-10)18(19,20)21/h3-6,9,15H,7-8H2,1-2H3,(H,22,23,24)
InChIKey ZKIDLZUXOXQDTH-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30084
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: 1644383; SBI_ID: SBI-030088
Temperature 315 °C