For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2,4-thiophenedicarboxylic acid, 5-[[2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-3-methyl-, diethyl ester

View entire compound with spectra: 1 NMR

2,4-thiophenedicarboxylic acid, 5-[[2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-3-methyl-, diethyl ester
SpectraBase Compound ID AF4U7F6zBOj
InChI InChI=1S/C30H29F2N5O6S2/c1-5-42-28(40)23-16(3)24(29(41)43-6-2)45-27(23)34-25(38)17(4)44-30-36-35-22(37(30)19-13-11-18(31)12-14-19)15-33-26(39)20-9-7-8-10-21(20)32/h7-14,17H,5-6,15H2,1-4H3,(H,33,39)(H,34,38)
InChIKey ADPZQMOEDOGHQU-UHFFFAOYSA-N
Mol Weight 657.71 g/mol
Molecular Formula C30H29F2N5O6S2
Exact Mass 657.152732 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FbpSdwoC0AK
Name 2,4-thiophenedicarboxylic acid, 5-[[2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-3-methyl-, diethyl 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/C30H29F2N5O6S2/c1-5-42-28(40)23-16(3)24(29(41)43-6-2)45-27(23)34-25(38)17(4)44-30-36-35-22(37(30)19-13-11-18(31)12-14-19)15-33-26(39)20-9-7-8-10-21(20)32/h7-14,17H,5-6,15H2,1-4H3,(H,33,39)(H,34,38)
InChIKey ADPZQMOEDOGHQU-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6702
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/10278714