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methyl 2-[({[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID JIv4YgwKGg6
InChI InChI=1S/C24H25ClN6O4S2/c1-13-19(25)20(30(2)29-13)21-27-28-24(31(21)11-14-7-6-10-35-14)36-12-17(32)26-22-18(23(33)34-3)15-8-4-5-9-16(15)37-22/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,26,32)
InChIKey VLEXDQYZQXIEIF-UHFFFAOYSA-N
Mol Weight 561.08 g/mol
Molecular Formula C24H25ClN6O4S2
Exact Mass 560.106723 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6qXfc2CVIJQ
Name methyl 2-[({[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C24H25ClN6O4S2/c1-13-19(25)20(30(2)29-13)21-27-28-24(31(21)11-14-7-6-10-35-14)36-12-17(32)26-22-18(23(33)34-3)15-8-4-5-9-16(15)37-22/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,26,32)
InChIKey VLEXDQYZQXIEIF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11424
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/1031941; Labnumber: NIV1245; UZI_ID: UZI-011426
Temperature 308 °C