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

View entire compound with spectra: 1 NMR

ethyl 2-[({[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID CPCBxXFuMV2
InChI InChI=1S/C24H32N6O3S2/c1-6-15-9-10-16-18(12-15)35-22(20(16)23(32)33-8-3)25-19(31)13-34-24-27-26-21(30(24)7-2)17-11-14(4)28-29(17)5/h11,15H,6-10,12-13H2,1-5H3,(H,25,31)
InChIKey SAVXSDGOOZTECX-UHFFFAOYSA-N
Mol Weight 516.7 g/mol
Molecular Formula C24H32N6O3S2
Exact Mass 516.197731 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BVnMqixNpcM
Name ethyl 2-[({[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-6-ethyl-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/C24H32N6O3S2/c1-6-15-9-10-16-18(12-15)35-22(20(16)23(32)33-8-3)25-19(31)13-34-24-27-26-21(30(24)7-2)17-11-14(4)28-29(17)5/h11,15H,6-10,12-13H2,1-5H3,(H,25,31)
InChIKey SAVXSDGOOZTECX-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11350
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/1029702; Labnumber: NIV1128; UZI_ID: UZI-011352
Temperature 308 °C