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

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 2-[[[[5-[[(2-fluorobenzoyl)amino]methyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
SpectraBase Compound ID 5jCPXmcuST3
InChI InChI=1S/C24H26FN5O4S2/c1-3-34-23(33)20-15-9-5-7-11-17(15)36-22(20)27-19(31)13-35-24-29-28-18(30(24)2)12-26-21(32)14-8-4-6-10-16(14)25/h4,6,8,10H,3,5,7,9,11-13H2,1-2H3,(H,26,32)(H,27,31)
InChIKey HYLFMOXUGAJRKS-UHFFFAOYSA-N
Mol Weight 531.62 g/mol
Molecular Formula C24H26FN5O4S2
Exact Mass 531.141025 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3Ib9beLQ7Ei
Name benzo[b]thiophene-3-carboxylic acid, 2-[[[[5-[[(2-fluorobenzoyl)amino]methyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-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/C24H26FN5O4S2/c1-3-34-23(33)20-15-9-5-7-11-17(15)36-22(20)27-19(31)13-35-24-29-28-18(30(24)2)12-26-21(32)14-8-4-6-10-16(14)25/h4,6,8,10H,3,5,7,9,11-13H2,1-2H3,(H,26,32)(H,27,31)
InChIKey HYLFMOXUGAJRKS-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6680
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/10278691