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tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid, 1-(1,1-dimethylethyl)-3-methyl-4-[(4-methylphenyl)sulfonyl]-1H-pyrazol-5-yl ester

View entire compound with spectra: 1 NMR

tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid, 1-(1,1-dimethylethyl)-3-methyl-4-[(4-methylphenyl)sulfonyl]-1H-pyrazol-5-yl ester
SpectraBase Compound ID 4UdAmUMDKK4
InChI InChI=1S/C26H34N2O4S/c1-16-6-8-21(9-7-16)33(30,31)22-17(2)27-28(25(3,4)5)23(22)32-24(29)26-13-18-10-19(14-26)12-20(11-18)15-26/h6-9,18-20H,10-15H2,1-5H3/t18-,19+,20-,26-
InChIKey BFHIHIKOGGBFHN-VTTXJZCFSA-N
Mol Weight 470.6 g/mol
Molecular Formula C26H34N2O4S
Exact Mass 470.223929 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JyyEVLc6fx9
Name tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid, 1-(1,1-dimethylethyl)-3-methyl-4-[(4-methylphenyl)sulfonyl]-1H-pyrazol-5-yl 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 470.223928753 u
Formula C26H34N2O4S
InChI InChI=1S/C26H34N2O4S/c1-16-6-8-21(9-7-16)33(30,31)22-17(2)27-28(25(3,4)5)23(22)32-24(29)26-13-18-10-19(14-26)12-20(11-18)15-26/h6-9,18-20H,10-15H2,1-5H3/t18-,19+,20-,26-
InChIKey BFHIHIKOGGBFHN-VTTXJZCFSA-N
Molecular Weight 470.628 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_207
Solvent DMSO-d6
Source Vendor ID: NMR/13238482