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isopropyl 2-[({[4-butyl-5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 1 NMR

isopropyl 2-[({[4-butyl-5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID EA0ToivRm6R
InChI InChI=1S/C25H33ClN6O3S2/c1-6-7-12-32-22(21-20(26)15(4)30-31(21)5)28-29-25(32)36-13-18(33)27-23-19(24(34)35-14(2)3)16-10-8-9-11-17(16)37-23/h14H,6-13H2,1-5H3,(H,27,33)
InChIKey DSOILIIJIOKKPH-UHFFFAOYSA-N
Mol Weight 565.2 g/mol
Molecular Formula C25H33ClN6O3S2
Exact Mass 564.174409 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 95JkOW1AVbc
Name isopropyl 2-[({[4-butyl-5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-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/C25H33ClN6O3S2/c1-6-7-12-32-22(21-20(26)15(4)30-31(21)5)28-29-25(32)36-13-18(33)27-23-19(24(34)35-14(2)3)16-10-8-9-11-17(16)37-23/h14H,6-13H2,1-5H3,(H,27,33)
InChIKey DSOILIIJIOKKPH-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11431
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/1029997; Labnumber: NIV1255; UZI_ID: UZI-011433
Temperature 308 °C