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1H-pyrazole-4-carboxylic acid, 5-[(2-thienylacetyl)amino]-1-[2-[(2-thienylacetyl)oxy]ethyl]-, ethyl ester
SpectraBase Compound ID BGITluNf8dJ
InChI InChI=1S/C20H21N3O5S2/c1-2-27-20(26)16-13-21-23(7-8-28-18(25)12-15-6-4-10-30-15)19(16)22-17(24)11-14-5-3-9-29-14/h3-6,9-10,13H,2,7-8,11-12H2,1H3,(H,22,24)
InChIKey MAHQKZVKHHRXNA-UHFFFAOYSA-N
Mol Weight 447.52 g/mol
Molecular Formula C20H21N3O5S2
Exact Mass 447.092263 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GZlIG1odGrE
Name 1H-pyrazole-4-carboxylic acid, 5-[(2-thienylacetyl)amino]-1-[2-[(2-thienylacetyl)oxy]ethyl]-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.092263131 u
Formula C20H21N3O5S2
InChI InChI=1S/C20H21N3O5S2/c1-2-27-20(26)16-13-21-23(7-8-28-18(25)12-15-6-4-10-30-15)19(16)22-17(24)11-14-5-3-9-29-14/h3-6,9-10,13H,2,7-8,11-12H2,1H3,(H,22,24)
InChIKey MAHQKZVKHHRXNA-UHFFFAOYSA-N
Molecular Weight 447.524 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_5517
Solvent DMSO-d6
Source Vendor ID: NMR/13288863