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methyl 2-[({4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolyl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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methyl 2-[({4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolyl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID BhmLpv74LJc
InChI InChI=1S/C21H23N5O6S/c1-10-18(26(29)30)11(2)25(23-10)9-14-12(3)32-24-17(14)19(27)22-20-16(21(28)31-4)13-7-5-6-8-15(13)33-20/h5-9H2,1-4H3,(H,22,27)
InChIKey QOYWPSKOQVNNKX-UHFFFAOYSA-N
Mol Weight 473.5 g/mol
Molecular Formula C21H23N5O6S
Exact Mass 473.136905 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4jJ397NFdYw
Name methyl 2-[({4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolyl}carbonyl)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/C21H23N5O6S/c1-10-18(26(29)30)11(2)25(23-10)9-14-12(3)32-24-17(14)19(27)22-20-16(21(28)31-4)13-7-5-6-8-15(13)33-20/h5-9H2,1-4H3,(H,22,27)
InChIKey QOYWPSKOQVNNKX-UHFFFAOYSA-N
NMR Offset 17.9121
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_33186
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: 1912174; SBI_ID: SBI-033190
Temperature 303 °C