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2-thiophenecarboxylic acid, 4-(2-amino-3-cyano-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-4H-1-benzopyran-4-yl)-2-methoxyphenyl ester

View entire compound with spectra: 1 NMR

2-thiophenecarboxylic acid, 4-(2-amino-3-cyano-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-4H-1-benzopyran-4-yl)-2-methoxyphenyl ester
SpectraBase Compound ID 5QDpajToSXQ
InChI InChI=1S/C24H22N2O5S/c1-24(2)10-15(27)21-18(11-24)30-22(26)14(12-25)20(21)13-6-7-16(17(9-13)29-3)31-23(28)19-5-4-8-32-19/h4-9,20H,10-11,26H2,1-3H3
InChIKey ITKGLDNYQFBSMU-UHFFFAOYSA-N
Mol Weight 450.51 g/mol
Molecular Formula C24H22N2O5S
Exact Mass 450.124943 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1ujZI10wN5G
Name 2-thiophenecarboxylic acid, 4-(2-amino-3-cyano-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-4H-1-benzopyran-4-yl)-2-methoxyphenyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.124942985 u
Formula C24H22N2O5S
InChI InChI=1S/C24H22N2O5S/c1-24(2)10-15(27)21-18(11-24)30-22(26)14(12-25)20(21)13-6-7-16(17(9-13)29-3)31-23(28)19-5-4-8-32-19/h4-9,20H,10-11,26H2,1-3H3
InChIKey ITKGLDNYQFBSMU-UHFFFAOYSA-N
Molecular Weight 450.509 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7582
Solvent DMSO-d6
Source Vendor ID: NMR/9322183; Lab Info: VUR; Lab Number: VUR-0000953