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methyl 2-[({4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolyl}carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

View entire compound with spectra: 1 NMR

methyl 2-[({4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolyl}carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID B9k6fqqdLq0
InChI InChI=1S/C20H21N5O6S/c1-9-17(25(28)29)10(2)24(22-9)8-13-11(3)31-23-16(13)18(26)21-19-15(20(27)30-4)12-6-5-7-14(12)32-19/h5-8H2,1-4H3,(H,21,26)
InChIKey ZPESKPPPZPCRCH-UHFFFAOYSA-N
Mol Weight 459.48 g/mol
Molecular Formula C20H21N5O6S
Exact Mass 459.121255 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LUNQRU6ulHm
Name methyl 2-[({4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolyl}carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-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/C20H21N5O6S/c1-9-17(25(28)29)10(2)24(22-9)8-13-11(3)31-23-16(13)18(26)21-19-15(20(27)30-4)12-6-5-7-14(12)32-19/h5-8H2,1-4H3,(H,21,26)
InChIKey ZPESKPPPZPCRCH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32757
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: 1911507; SBI_ID: SBI-032761
Temperature 318 °C