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

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2-amino-4-{4-[(2-bromophenoxy)methyl]-5-methyl-2-thienyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID FkEuvxydU1j
InChI InChI=1S/C24H23BrN2O3S/c1-13-14(12-29-18-7-5-4-6-16(18)25)8-20(31-13)21-15(11-26)23(27)30-19-10-24(2,3)9-17(28)22(19)21/h4-8,21H,9-10,12,27H2,1-3H3
InChIKey XBNCIQIGXJAYEC-UHFFFAOYSA-N
Mol Weight 499.42 g/mol
Molecular Formula C24H23BrN2O3S
Exact Mass 498.061277 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6MkGS5sPVFG
Name 2-amino-4-{4-[(2-bromophenoxy)methyl]-5-methyl-2-thienyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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/C24H23BrN2O3S/c1-13-14(12-29-18-7-5-4-6-16(18)25)8-20(31-13)21-15(11-26)23(27)30-19-10-24(2,3)9-17(28)22(19)21/h4-8,21H,9-10,12,27H2,1-3H3
InChIKey XBNCIQIGXJAYEC-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14156
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/1011012; UBI_ID: UBI-014159
Temperature 308 °C