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3-({[3-(methoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SpectraBase Compound ID 7PKAgfWkuaC
InChI InChI=1S/C20H23NO5S/c1-9-3-6-12-13(7-9)27-18(16(12)20(25)26-2)21-17(22)14-10-4-5-11(8-10)15(14)19(23)24/h4-5,9-11,14-15H,3,6-8H2,1-2H3,(H,21,22)(H,23,24)
InChIKey FJSHFAUKEQNYEU-UHFFFAOYSA-N
Mol Weight 389.47 g/mol
Molecular Formula C20H23NO5S
Exact Mass 389.129694 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3tLY2wPhgG4
Name 3-({[3-(methoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
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/C20H23NO5S/c1-9-3-6-12-13(7-9)27-18(16(12)20(25)26-2)21-17(22)14-10-4-5-11(8-10)15(14)19(23)24/h4-5,9-11,14-15H,3,6-8H2,1-2H3,(H,21,22)(H,23,24)
InChIKey FJSHFAUKEQNYEU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_13262
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/8054473; Labnumber: NSB0026480; UZI_ID: UZI-013266
Temperature 306 °C