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methyl 4-[2-chloro-7-(4-fluorophenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzoate
SpectraBase Compound ID 80nlvQ0DQyb
InChI InChI=1S/C26H18ClFN4O3/c1-34-25(33)16-4-2-15(3-5-16)24-21-22(19-12-17(27)8-11-20(19)35-24)31-26-29-13-30-32(26)23(21)14-6-9-18(28)10-7-14/h2-13,23-24H,1H3,(H,29,30,31)
InChIKey DWNYDRVGEOFHSO-UHFFFAOYSA-N
Mol Weight 488.91 g/mol
Molecular Formula C26H18ClFN4O3
Exact Mass 488.105146 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID An07xMMsEKR
Name methyl 4-[2-chloro-7-(4-fluorophenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzoate
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/C26H18ClFN4O3/c1-34-25(33)16-4-2-15(3-5-16)24-21-22(19-12-17(27)8-11-20(19)35-24)31-26-29-13-30-32(26)23(21)14-6-9-18(28)10-7-14/h2-13,23-24H,1H3,(H,29,30,31)
InChIKey DWNYDRVGEOFHSO-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26886
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: D66753; Labnumber: ExRud-01357; SBI_ID: SBI-026890
Temperature 306 °C