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

View entire compound with spectra: 1 NMR

4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-5,6,7,8-tetrahydro-, ethyl ester
SpectraBase Compound ID D9CCA8fyyvC
InChI InChI=1S/C26H30FN5O4S2/c1-4-36-25(35)21-17-11-6-5-7-13-19(17)38-24(21)29-22(33)15(2)37-26-31-30-20(32(26)3)14-28-23(34)16-10-8-9-12-18(16)27/h8-10,12,15H,4-7,11,13-14H2,1-3H3,(H,28,34)(H,29,33)
InChIKey IBIWZSPQEQBJJR-UHFFFAOYSA-N
Mol Weight 559.68 g/mol
Molecular Formula C26H30FN5O4S2
Exact Mass 559.172325 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B9xdDSbPsv3
Name 4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]-1-oxopropyl]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/C26H30FN5O4S2/c1-4-36-25(35)21-17-11-6-5-7-13-19(17)38-24(21)29-22(33)15(2)37-26-31-30-20(32(26)3)14-28-23(34)16-10-8-9-12-18(16)27/h8-10,12,15H,4-7,11,13-14H2,1-3H3,(H,28,34)(H,29,33)
InChIKey IBIWZSPQEQBJJR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6699
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/10278711