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1-[(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)SULFONYL]-3-PROPYLPYRAZOLE-4-CARBOXYLIC ACID, ETHYL ESTER

View entire compound with spectra: 2 NMR, and 1 FTIR

1-[(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)SULFONYL]-3-PROPYLPYRAZOLE-4-CARBOXYLIC ACID, ETHYL ESTER
SpectraBase Compound ID JctzwXlN10d
InChI InChI=1S/C17H16F6N2O4S/c1-3-5-14-13(15(26)29-4-2)9-25(24-14)30(27,28)12-7-10(16(18,19)20)6-11(8-12)17(21,22)23/h6-9H,3-5H2,1-2H3
InChIKey GHELMCAOGYTTKI-UHFFFAOYSA-N
Mol Weight 458.38 g/mol
Molecular Formula C17H16F6N2O4S
Exact Mass 458.073497 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID oQI8BTXZfD
Name 1-[(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)SULFONYL]-3-PROPYLPYRAZOLE-4-CARBOXYLIC ACID, ETHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16F6N2O4S
InChI InChI=1S/C17H16F6N2O4S/c1-3-5-14-13(15(26)29-4-2)9-25(24-14)30(27,28)12-7-10(16(18,19)20)6-11(8-12)17(21,22)23/h6-9H,3-5H2,1-2H3
InChIKey GHELMCAOGYTTKI-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 80-82C
Molecular Weight 458.38
Solvent CDCl3; Reference=TMS; Temperature 297K