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2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-(4-fluorophenyl)-2,3-dihydro-4(1H)-quinazolinone
SpectraBase Compound ID Buus2tnPkFC
InChI InChI=1S/C27H24FN5O4/c1-16-25(33(35)36)17(2)31(30-16)15-19-14-18(8-13-24(19)37-3)26-29-23-7-5-4-6-22(23)27(34)32(26)21-11-9-20(28)10-12-21/h4-14,26,29H,15H2,1-3H3
InChIKey QDHIJOWZZZDWPP-UHFFFAOYSA-N
Mol Weight 501.52 g/mol
Molecular Formula C27H24FN5O4
Exact Mass 501.181232 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1hG5AIqTxhN
Name 2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-(4-fluorophenyl)-2,3-dihydro-4(1H)-quinazolinone
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/C27H24FN5O4/c1-16-25(33(35)36)17(2)31(30-16)15-19-14-18(8-13-24(19)37-3)26-29-23-7-5-4-6-22(23)27(34)32(26)21-11-9-20(28)10-12-21/h4-14,26,29H,15H2,1-3H3
InChIKey QDHIJOWZZZDWPP-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12873
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: 101482; Labnumber: NCD1-110; VK_ID: VK-012878
Temperature 308 °C