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1-(BENZENESULFONYL)-5-HYDROXYPYRAZOLE-4-CARBOXYLATE

View entire compound with spectra: 2 NMR, and 1 MS (GC)

1-(BENZENESULFONYL)-5-HYDROXYPYRAZOLE-4-CARBOXYLATE
SpectraBase Compound ID IKxlD0Muimx
InChI InChI=1S/C12H12N2O5S/c1-2-19-12(16)10-8-13-14(11(10)15)20(17,18)9-6-4-3-5-7-9/h3-8,15H,2H2,1H3
InChIKey NFFOMATZUGSYSH-UHFFFAOYSA-N
Mol Weight 296.3 g/mol
Molecular Formula C12H12N2O5S
Exact Mass 296.046693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2RqPafDKYd
Name Ethyl 5-hydroxy-1-(benzenesulfonyl)-1H-pyrazole-4-carboxylate
Alternate Name(s) Ethyl 5-hydroxy-1-(phenylsulfonyl)-1H-pyrazole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O5S
InChI InChI=1S/C12H12N2O5S/c1-2-19-12(16)10-8-13-14(11(10)15)20(17,18)9-6-4-3-5-7-9/h3-8,15H,2H2,1H3
InChIKey NFFOMATZUGSYSH-UHFFFAOYSA-N
Molecular Weight 296.297 g/mol
SMILES Oc1[n](S(=O)(=O)c2ccccc2)ncc1C(=O)OCC
SPLASH splash10-004i-9700000000-0b1cae1087f0c13e202b
Source of Spectrum Y-32-1348-4
Wiley ID 1298651