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ethyl 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-dimethyl-3-thiophenecarboxylate

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ethyl 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-dimethyl-3-thiophenecarboxylate
SpectraBase Compound ID 6GQp9B0S2hd
InChI InChI=1S/C23H25ClN6O4S2/c1-6-33-22(32)17-12(2)14(4)36-21(17)25-16(31)11-35-23-27-26-20(19-18(24)13(3)28-29(19)5)30(23)10-15-8-7-9-34-15/h7-9H,6,10-11H2,1-5H3,(H,25,31)
InChIKey IVTLHGUPKCOCRY-UHFFFAOYSA-N
Mol Weight 549.06 g/mol
Molecular Formula C23H25ClN6O4S2
Exact Mass 548.106723 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CxWXgZIAoh2
Name ethyl 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-dimethyl-3-thiophenecarboxylate
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/C23H25ClN6O4S2/c1-6-33-22(32)17-12(2)14(4)36-21(17)25-16(31)11-35-23-27-26-20(19-18(24)13(3)28-29(19)5)30(23)10-15-8-7-9-34-15/h7-9H,6,10-11H2,1-5H3,(H,25,31)
InChIKey IVTLHGUPKCOCRY-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11426
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/1029395; Labnumber: NIV1247; UZI_ID: UZI-011428
Temperature 308 °C