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ethyl 2-{[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4-ethyl-5-methyl-3-thiophenecarboxylate
SpectraBase Compound ID EMyZd1YW8LZ
InChI InChI=1S/C16H19ClN4O5S/c1-5-10-9(4)27-15(12(10)16(23)26-6-2)18-11(22)7-20-8(3)13(17)14(19-20)21(24)25/h5-7H2,1-4H3,(H,18,22)
InChIKey LSIUTKVTTHJWNR-UHFFFAOYSA-N
Mol Weight 414.86 g/mol
Molecular Formula C16H19ClN4O5S
Exact Mass 414.076469 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4rICQEysyBY
Name ethyl 2-{[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4-ethyl-5-methyl-3-thiophenecarboxylate
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/C16H19ClN4O5S/c1-5-10-9(4)27-15(12(10)16(23)26-6-2)18-11(22)7-20-8(3)13(17)14(19-20)21(24)25/h5-7H2,1-4H3,(H,18,22)
InChIKey LSIUTKVTTHJWNR-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16166
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/8075629; UBI_ID: UBI-016169
Temperature 308 °C