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Ethyl (5Z)-2-anilino-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-4,5-dihydro-3-thiophenecarboxylate
SpectraBase Compound ID BrYYyuXFY0G
InChI InChI=1S/C21H17NO5S/c1-2-25-21(24)18-19(23)17(28-20(18)22-14-6-4-3-5-7-14)11-13-8-9-15-16(10-13)27-12-26-15/h3-11,22H,2,12H2,1H3/b17-11-
InChIKey IIABLAMILDIEAR-BOPFTXTBSA-N
Mol Weight 395.43 g/mol
Molecular Formula C21H17NO5S
Exact Mass 395.082744 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E1jl21eNmjK
Name 3-thiophenecarboxylic acid, 5-(1,3-benzodioxol-5-ylmethylene)-4,5-dihydro-4-oxo-2-(phenylamino)-, ethyl ester, (5Z)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.082743820 u
Formula C21H17NO5S
InChI InChI=1S/C21H17NO5S/c1-2-25-21(24)18-19(23)17(28-20(18)22-14-6-4-3-5-7-14)11-13-8-9-15-16(10-13)27-12-26-15/h3-11,22H,2,12H2,1H3/b17-11-
InChIKey IIABLAMILDIEAR-BOPFTXTBSA-N
Molecular Weight 395.429 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3998
Solvent DMSO-d6
Source Vendor ID: ZI/9042159; Lab Info: BOS; Lab Number: BOS-fdr0024