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isopropyl 2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID CdbVfkkJfxZ
InChI InChI=1S/C18H22N4O5S/c1-9(2)27-18(24)15-12-6-5-7-13(12)28-17(15)19-14(23)8-21-11(4)16(22(25)26)10(3)20-21/h9H,5-8H2,1-4H3,(H,19,23)
InChIKey AJUVKLXILVAQCT-UHFFFAOYSA-N
Mol Weight 406.46 g/mol
Molecular Formula C18H22N4O5S
Exact Mass 406.131091 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BG2Nviu82BS
Name isopropyl 2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)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/C18H22N4O5S/c1-9(2)27-18(24)15-12-6-5-7-13(12)28-17(15)19-14(23)8-21-11(4)16(22(25)26)10(3)20-21/h9H,5-8H2,1-4H3,(H,19,23)
InChIKey AJUVKLXILVAQCT-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5086
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/8146432; UBI_ID: UBI-005088
Temperature 305 °C