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1H-pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-phenyl-4-sulfo-,ethyl ester

View entire compound with spectra: 1 NMR

1H-pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-phenyl-4-sulfo-,ethyl ester
SpectraBase Compound ID 3ai2mjrfca9
InChI InChI=1S/C12H12N2O6S/c1-2-20-12(16)9-10(21(17,18)19)11(15)14(13-9)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3,(H,17,18,19)
InChIKey AHJBGZVKRPUNNL-UHFFFAOYSA-N
Mol Weight 312.3 g/mol
Molecular Formula C12H12N2O6S
Exact Mass 312.041607 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CvSKlsrQC7c
Name 1H-pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-phenyl-4-sulfo-,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 312.041607282 u
Formula C12H12N2O6S
InChI InChI=1S/C12H12N2O6S/c1-2-20-12(16)9-10(21(17,18)19)11(15)14(13-9)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3,(H,17,18,19)
InChIKey AHJBGZVKRPUNNL-UHFFFAOYSA-N
Molecular Weight 312.296 g/mol
NMR Offset 16.1752
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1852
Solvent DMSO-d6
Source Vendor ID: NMR/8316849; Lab Info: ZEM; Lab Number: ZEM-P000130
Temperature 39.85 °C