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N-(2,4-difluorophenyl)-9-(trifluoromethyl)-4,4a,5,6,7,8,8a,9-octahydropyrazolo[5,1-b]quinazoline-2-carboxamide

View entire compound with spectra: 1 NMR

N-(2,4-difluorophenyl)-9-(trifluoromethyl)-4,4a,5,6,7,8,8a,9-octahydropyrazolo[5,1-b]quinazoline-2-carboxamide
SpectraBase Compound ID EzGD2nx8V1S
InChI InChI=1S/C18H17F5N4O/c19-9-5-6-13(11(20)7-9)25-17(28)14-8-15-24-12-4-2-1-3-10(12)16(18(21,22)23)27(15)26-14/h5-8,10,12,16,24H,1-4H2,(H,25,28)
InChIKey XRRSYUJZJFMCFN-UHFFFAOYSA-N
Mol Weight 400.35 g/mol
Molecular Formula C18H17F5N4O
Exact Mass 400.132252 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9ivabLm7Pm1
Name N-(2,4-difluorophenyl)-9-(trifluoromethyl)-4,4a,5,6,7,8,8a,9-octahydropyrazolo[5,1-b]quinazoline-2-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/C18H17F5N4O/c19-9-5-6-13(11(20)7-9)25-17(28)14-8-15-24-12-4-2-1-3-10(12)16(18(21,22)23)27(15)26-14/h5-8,10,12,16,24H,1-4H2,(H,25,28)
InChIKey XRRSYUJZJFMCFN-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14297
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/1013298; UBI_ID: UBI-014300
Temperature 308 °C