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

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methyl 2-[({[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]oxy}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID 8aPCU1b0Uzg
InChI InChI=1S/C18H20ClN3O5S/c1-9-16(19)10(2)22(21-9)7-14(24)27-8-13(23)20-17-15(18(25)26-3)11-5-4-6-12(11)28-17/h4-8H2,1-3H3,(H,20,23)
InChIKey LXEFQWKWBQSBFW-UHFFFAOYSA-N
Mol Weight 425.89 g/mol
Molecular Formula C18H20ClN3O5S
Exact Mass 425.08122 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J7nHSk9Bh7p
Name methyl 2-[({[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]oxy}acetyl)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/C18H20ClN3O5S/c1-9-16(19)10(2)22(21-9)7-14(24)27-8-13(23)20-17-15(18(25)26-3)11-5-4-6-12(11)28-17/h4-8H2,1-3H3,(H,20,23)
InChIKey LXEFQWKWBQSBFW-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_1680
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: NMR/9245347; Labnumber: PNA-NA00326
Temperature 303 °C