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isopropyl 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 9C9g6LxGwes
InChI InChI=1S/C26H29ClN6O4S2/c1-14(2)37-25(35)20-17-9-5-6-10-18(17)39-24(20)28-19(34)13-38-26-30-29-23(22-21(27)15(3)31-32(22)4)33(26)12-16-8-7-11-36-16/h7-8,11,14H,5-6,9-10,12-13H2,1-4H3,(H,28,34)
InChIKey DNKHUTPEPSHLIS-UHFFFAOYSA-N
Mol Weight 589.13 g/mol
Molecular Formula C26H29ClN6O4S2
Exact Mass 588.138023 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4Na54NSfTNT
Name isopropyl 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/C26H29ClN6O4S2/c1-14(2)37-25(35)20-17-9-5-6-10-18(17)39-24(20)28-19(34)13-38-26-30-29-23(22-21(27)15(3)31-32(22)4)33(26)12-16-8-7-11-36-16/h7-8,11,14H,5-6,9-10,12-13H2,1-4H3,(H,28,34)
InChIKey DNKHUTPEPSHLIS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11425
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/1029589; Labnumber: NIV1246; UZI_ID: UZI-011427
Temperature 308 °C