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3-({[4-ethyl-3-(isopropoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID H0btlM2KQRi
InChI InChI=1S/C20H27NO5S/c1-5-13-10(4)27-18(16(13)20(25)26-9(2)3)21-17(22)14-11-6-7-12(8-11)15(14)19(23)24/h9,11-12,14-15H,5-8H2,1-4H3,(H,21,22)(H,23,24)/t11-,12+,14-,15-/m1/s1
InChIKey IMTSCXFDHZSDIB-AYRXBEOTSA-N
Mol Weight 393.5 g/mol
Molecular Formula C20H27NO5S
Exact Mass 393.160994 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IzzvIcKoJNI
Name 3-({[4-ethyl-3-(isopropoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-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/C20H27NO5S/c1-5-13-10(4)27-18(16(13)20(25)26-9(2)3)21-17(22)14-11-6-7-12(8-11)15(14)19(23)24/h9,11-12,14-15H,5-8H2,1-4H3,(H,21,22)(H,23,24)/t11-,12+,14-,15-/m1/s1
InChIKey IMTSCXFDHZSDIB-AYRXBEOTSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10973
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/9079249; UBI_ID: UBI-010976
Temperature 313 °C