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2-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

View entire compound with spectra: 1 NMR

2-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID KE1U6y2uoLT
InChI InChI=1S/C27H26ClFN2O3/c1-14-7-15(2)18(8-16(14)13-33-22-6-5-17(29)9-20(22)28)24-19(12-30)26(31)34-23-11-27(3,4)10-21(32)25(23)24/h5-9,24H,10-11,13,31H2,1-4H3
InChIKey JOWVTPPVOSOXRQ-UHFFFAOYSA-N
Mol Weight 480.97 g/mol
Molecular Formula C27H26ClFN2O3
Exact Mass 480.161599 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 87BEH6jZ1xb
Name 2-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl}-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/C27H26ClFN2O3/c1-14-7-15(2)18(8-16(14)13-33-22-6-5-17(29)9-20(22)28)24-19(12-30)26(31)34-23-11-27(3,4)10-21(32)25(23)24/h5-9,24H,10-11,13,31H2,1-4H3
InChIKey JOWVTPPVOSOXRQ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13192
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/1010242; UBI_ID: UBI-013195
Temperature 308 °C