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2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

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2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID 4kARhZ3pW1C
InChI InChI=1S/C27H25F3N2O4/c1-26(2)11-19(33)24-22(12-26)36-25(32)18(13-31)23(24)16-7-8-20(21(10-16)34-3)35-14-15-5-4-6-17(9-15)27(28,29)30/h4-10,23H,11-12,14,32H2,1-3H3
InChIKey VOJOLCXPYUUJIP-UHFFFAOYSA-N
Mol Weight 498.5 g/mol
Molecular Formula C27H25F3N2O4
Exact Mass 498.176642 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2WTa2O6R4kz
Name 2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-7,7-dimethyl-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/C27H25F3N2O4/c1-26(2)11-19(33)24-22(12-26)36-25(32)18(13-31)23(24)16-7-8-20(21(10-16)34-3)35-14-15-5-4-6-17(9-15)27(28,29)30/h4-10,23H,11-12,14,32H2,1-3H3
InChIKey VOJOLCXPYUUJIP-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12599
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/9123500; UBI_ID: UBI-012602
Temperature 308 °C