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12-oxo-N-[4-(trifluoromethyl)phenyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
SpectraBase Compound ID 7pDsB3dkidy
InChI InChI=1S/C21H18F3N3O2/c22-21(23,24)14-6-8-15(9-7-14)25-19(28)13-5-10-16-17(12-13)26-18-4-2-1-3-11-27(18)20(16)29/h5-10,12H,1-4,11H2,(H,25,28)
InChIKey JKKIANBGRWCNIK-UHFFFAOYSA-N
Mol Weight 401.39 g/mol
Molecular Formula C21H18F3N3O2
Exact Mass 401.135111 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L9GLAuRYVE
Name 12-oxo-N-[4-(trifluoromethyl)phenyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
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/C21H18F3N3O2/c22-21(23,24)14-6-8-15(9-7-14)25-19(28)13-5-10-16-17(12-13)26-18-4-2-1-3-11-27(18)20(16)29/h5-10,12H,1-4,11H2,(H,25,28)
InChIKey JKKIANBGRWCNIK-UHFFFAOYSA-N
NMR Offset 15.3209
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34168
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: 2086277; SBI_ID: SBI-034172
Temperature 297 °C