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ethyl 2-{[(1-oxo-1H-2-benzopyran-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID Gb6nmhKsE5W
InChI InChI=1S/C21H19NO5S/c1-2-26-21(25)17-14-9-5-6-10-16(14)28-19(17)22-18(23)15-11-12-7-3-4-8-13(12)20(24)27-15/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,22,23)
InChIKey MDUUCKROJFRDQK-UHFFFAOYSA-N
Mol Weight 397.45 g/mol
Molecular Formula C21H19NO5S
Exact Mass 397.098394 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BJ2mbemSWRd
Name ethyl 2-{[(1-oxo-1H-2-benzopyran-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C21H19NO5S/c1-2-26-21(25)17-14-9-5-6-10-16(14)28-19(17)22-18(23)15-11-12-7-3-4-8-13(12)20(24)27-15/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,22,23)
InChIKey MDUUCKROJFRDQK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16707
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/8171410; UBI_ID: UBI-016710
Temperature 318 °C