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11-chloro-N-[3-(1H-imidazol-1-yl)propyl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide

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11-chloro-N-[3-(1H-imidazol-1-yl)propyl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide
SpectraBase Compound ID 5Bea3iyJ7eK
InChI InChI=1S/C22H18ClF3N6O/c23-16-18(21(33)28-8-3-10-31-11-9-27-12-31)30-32-19(22(24,25)26)15-7-6-13-4-1-2-5-14(13)17(15)29-20(16)32/h1-2,4-5,9,11-12H,3,6-8,10H2,(H,28,33)
InChIKey BKXJIHFSBJDCHT-UHFFFAOYSA-N
Mol Weight 474.88 g/mol
Molecular Formula C22H18ClF3N6O
Exact Mass 474.118271 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D7Vf384raI3
Name 11-chloro-N-[3-(1H-imidazol-1-yl)propyl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H18ClF3N6O/c23-16-18(21(33)28-8-3-10-31-11-9-27-12-31)30-32-19(22(24,25)26)15-7-6-13-4-1-2-5-14(13)17(15)29-20(16)32/h1-2,4-5,9,11-12H,3,6-8,10H2,(H,28,33)
InChIKey BKXJIHFSBJDCHT-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12140
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: UZI/9100168; UBI_ID: UBI-012143
Temperature 313 °C