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5-tert-butyl-1-phenyl-1H-pyrazole-3-carboxylic acid
SpectraBase Compound ID 3iR9YMex3bA
InChI InChI=1S/C14H16N2O2/c1-14(2,3)12-9-11(13(17)18)15-16(12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,18)
InChIKey CBLDQVQVGAYZED-UHFFFAOYSA-N
Mol Weight 244.29 g/mol
Molecular Formula C14H16N2O2
Exact Mass 244.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CwfFZlBz7Te
Name 5-tert-Butyl-1-phenyl-1H-pyrazole-3-carboxylic acid
Alternate Name(s) 5-tert-Butyl-1-phenyl-3-pyrazolecarboxylic acid 5-tert-Butyl-1-phenyl-pyrazole-3-carboxylic acid
CAS Registry Number 286435-97-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O2
InChI InChI=1S/C14H16N2O2/c1-14(2,3)12-9-11(13(17)18)15-16(12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,18)
InChIKey CBLDQVQVGAYZED-UHFFFAOYSA-N
Molecular Weight 244.294 g/mol
SMILES OC(c1n[n](c(C(C)(C)C)c1)-c1ccccc1)=O
SPLASH splash10-03fr-4390000000-8757011af9c5040a5b5d
Wiley ID 1460656