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ethyl 6-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 9eSjouvLH16
InChI InChI=1S/C26H34N6O4S2/c1-4-16-8-9-18-20(13-16)38-24(22(18)25(34)35-5-2)27-21(33)15-37-26-29-28-23(19-10-11-31(3)30-19)32(26)14-17-7-6-12-36-17/h10-11,16-17H,4-9,12-15H2,1-3H3,(H,27,33)
InChIKey QYKLVHYRDROSCU-UHFFFAOYSA-N
Mol Weight 558.7 g/mol
Molecular Formula C26H34N6O4S2
Exact Mass 558.208296 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LCjqJd7fBzD
Name ethyl 6-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/C26H34N6O4S2/c1-4-16-8-9-18-20(13-16)38-24(22(18)25(34)35-5-2)27-21(33)15-37-26-29-28-23(19-10-11-31(3)30-19)32(26)14-17-7-6-12-36-17/h10-11,16-17H,4-9,12-15H2,1-3H3,(H,27,33)
InChIKey QYKLVHYRDROSCU-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10604
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/1031305; Labnumber: KUZ0456; UZI_ID: UZI-010606
Temperature 308 °C