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3-({[3-(aminocarbonyl)-6-propyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SpectraBase Compound ID DR7KJPwnsb7
InChI InChI=1S/C21H26N2O4S/c1-2-3-10-4-7-13-14(8-10)28-20(17(13)18(22)24)23-19(25)15-11-5-6-12(9-11)16(15)21(26)27/h5-6,10-12,15-16H,2-4,7-9H2,1H3,(H2,22,24)(H,23,25)(H,26,27)/t10?,11-,12+,15-,16-/m0/s1
InChIKey BEJPIHKVXGDYOT-MAQXHSOZSA-N
Mol Weight 402.51 g/mol
Molecular Formula C21H26N2O4S
Exact Mass 402.161328 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FNy4GsTTkOY
Name 3-({[3-(aminocarbonyl)-6-propyl-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/C21H26N2O4S/c1-2-3-10-4-7-13-14(8-10)28-20(17(13)18(22)24)23-19(25)15-11-5-6-12(9-11)16(15)21(26)27/h5-6,10-12,15-16H,2-4,7-9H2,1H3,(H2,22,24)(H,23,25)(H,26,27)/t10?,11-,12+,15-,16-/m0/s1
InChIKey BEJPIHKVXGDYOT-MAQXHSOZSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1883
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/9334834; Labnumber: AM-AC/0044504; UZI_ID: UZI-001885
Temperature 318 °C