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ethyl 2-{[(1-oxo-1H-2-benzopyran-3-yl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID E4DrcprE9g0
InChI InChI=1S/C22H21NO5S/c1-2-27-22(26)18-15-10-4-3-5-11-17(15)29-20(18)23-19(24)16-12-13-8-6-7-9-14(13)21(25)28-16/h6-9,12H,2-5,10-11H2,1H3,(H,23,24)
InChIKey XTQXUESGFBGXQG-UHFFFAOYSA-N
Mol Weight 411.47 g/mol
Molecular Formula C22H21NO5S
Exact Mass 411.114044 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 68R4uovCSBb
Name ethyl 2-{[(1-oxo-1H-2-benzopyran-3-yl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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/C22H21NO5S/c1-2-27-22(26)18-15-10-4-3-5-11-17(15)29-20(18)23-19(24)16-12-13-8-6-7-9-14(13)21(25)28-16/h6-9,12H,2-5,10-11H2,1H3,(H,23,24)
InChIKey XTQXUESGFBGXQG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15716
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/8022574; UBI_ID: UBI-015719
Temperature 318 °C