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diethyl 3-methyl-5-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}-2,4-thiophenedicarboxylate
SpectraBase Compound ID J2UePk1uGxK
InChI InChI=1S/C21H19NO7S/c1-4-27-20(25)15-11(3)16(21(26)28-5-2)30-18(15)22-17(23)14-10-12-8-6-7-9-13(12)19(24)29-14/h6-10H,4-5H2,1-3H3,(H,22,23)
InChIKey XSDBIXXUTBDJQT-UHFFFAOYSA-N
Mol Weight 429.44 g/mol
Molecular Formula C21H19NO7S
Exact Mass 429.088223 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Isd5AzMBvdg
Name diethyl 3-methyl-5-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}-2,4-thiophenedicarboxylate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.088223123 u
Formula C21H19NO7S
InChI InChI=1S/C21H19NO7S/c1-4-27-20(25)15-11(3)16(21(26)28-5-2)30-18(15)22-17(23)14-10-12-8-6-7-9-13(12)19(24)29-14/h6-10H,4-5H2,1-3H3,(H,22,23)
InChIKey XSDBIXXUTBDJQT-UHFFFAOYSA-N
Molecular Weight 429.443 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3415
Solvent DMSO-d6
Source Vendor ID: NMR/12289255