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ethyl 2-[({[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-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

ethyl 2-[({[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID I1cludutZJ8
InChI InChI=1S/C24H30N6O4S2/c1-3-33-23(32)20-16-8-4-5-9-18(16)36-22(20)25-19(31)14-35-24-27-26-21(17-10-11-29(2)28-17)30(24)13-15-7-6-12-34-15/h10-11,15H,3-9,12-14H2,1-2H3,(H,25,31)
InChIKey UUNDXWFXYFZPQS-UHFFFAOYSA-N
Mol Weight 530.66 g/mol
Molecular Formula C24H30N6O4S2
Exact Mass 530.176996 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DTMzJ2vVSZV
Name ethyl 2-[({[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-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/C24H30N6O4S2/c1-3-33-23(32)20-16-8-4-5-9-18(16)36-22(20)25-19(31)14-35-24-27-26-21(17-10-11-29(2)28-17)30(24)13-15-7-6-12-34-15/h10-11,15H,3-9,12-14H2,1-2H3,(H,25,31)
InChIKey UUNDXWFXYFZPQS-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10603
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/1029462; Labnumber: KUZ0455; UZI_ID: UZI-010605
Temperature 308 °C