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2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID HGj8GiHrOg0
InChI InChI=1S/C25H21F3N2O4/c1-32-21-11-15(22-17(12-29)24(30)34-20-7-3-6-18(31)23(20)22)8-9-19(21)33-13-14-4-2-5-16(10-14)25(26,27)28/h2,4-5,8-11,22H,3,6-7,13,30H2,1H3
InChIKey FRWQPPFGOBETGW-UHFFFAOYSA-N
Mol Weight 470.45 g/mol
Molecular Formula C25H21F3N2O4
Exact Mass 470.145342 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5KEk1j9L8K8
Name 2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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/C25H21F3N2O4/c1-32-21-11-15(22-17(12-29)24(30)34-20-7-3-6-18(31)23(20)22)8-9-19(21)33-13-14-4-2-5-16(10-14)25(26,27)28/h2,4-5,8-11,22H,3,6-7,13,30H2,1H3
InChIKey FRWQPPFGOBETGW-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12511
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/9122627; UBI_ID: UBI-012514
Temperature 308 °C