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4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[[[5-[[(2-fluorobenzoyl)amino]methyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6,7,8-tetrahydro-, ethyl ester

View entire compound with spectra: 1 NMR

4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[[[5-[[(2-fluorobenzoyl)amino]methyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6,7,8-tetrahydro-, ethyl ester
SpectraBase Compound ID KL4y2fCr92n
InChI InChI=1S/C25H28FN5O4S2/c1-3-35-24(34)21-16-10-5-4-6-12-18(16)37-23(21)28-20(32)14-36-25-30-29-19(31(25)2)13-27-22(33)15-9-7-8-11-17(15)26/h7-9,11H,3-6,10,12-14H2,1-2H3,(H,27,33)(H,28,32)
InChIKey PQARHTWVXAAWTO-UHFFFAOYSA-N
Mol Weight 545.65 g/mol
Molecular Formula C25H28FN5O4S2
Exact Mass 545.156675 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AOz9S0oA1B5
Name 4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[[[5-[[(2-fluorobenzoyl)amino]methyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6,7,8-tetrahydro-, ethyl ester
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/C25H28FN5O4S2/c1-3-35-24(34)21-16-10-5-4-6-12-18(16)37-23(21)28-20(32)14-36-25-30-29-19(31(25)2)13-27-22(33)15-9-7-8-11-17(15)26/h7-9,11H,3-6,10,12-14H2,1-2H3,(H,27,33)(H,28,32)
InChIKey PQARHTWVXAAWTO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6682
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: NMR/10278693