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isopropyl 2-[(3,5-dimethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID DLBMN9zkNMj
InChI InChI=1S/C22H27NO5S/c1-13(2)28-22(25)19-17-8-6-5-7-9-18(17)29-21(19)23-20(24)14-10-15(26-3)12-16(11-14)27-4/h10-13H,5-9H2,1-4H3,(H,23,24)
InChIKey OCSORCTXVZYXPN-UHFFFAOYSA-N
Mol Weight 417.52 g/mol
Molecular Formula C22H27NO5S
Exact Mass 417.160994 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9xJLRBgXkXI
Name isopropyl 2-[(3,5-dimethoxybenzoyl)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/C22H27NO5S/c1-13(2)28-22(25)19-17-8-6-5-7-9-18(17)29-21(19)23-20(24)14-10-15(26-3)12-16(11-14)27-4/h10-13H,5-9H2,1-4H3,(H,23,24)
InChIKey OCSORCTXVZYXPN-UHFFFAOYSA-N
NMR Offset 14.4773
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UZI_26187_13703
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/8112758; Labnumber: NSB0040628; UZI_ID: UZI-013707
Temperature 313 °C