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3-tert-Butyl-1-phenyl-1H-pyrazole-5-carboxylic acid
SpectraBase Compound ID J7mh0LRs8qK
InChI InChI=1S/C14H16N2O2/c1-14(2,3)12-9-11(13(17)18)16(15-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,18)
InChIKey JYAMNOJMPNSKGL-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 DDKSM9CkuoM
Name 3-tert-Butyl-1-phenyl-1H-pyrazole-5-carboxylic acid
CAS Registry Number 93045-47-7
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)16(15-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,18)
InChIKey JYAMNOJMPNSKGL-UHFFFAOYSA-N
Molecular Weight 244.294 g/mol
SMILES OC(c1[n](nc(c1)C(C)(C)C)-c1ccccc1)=O
SPLASH splash10-03fu-4290000000-27bd892d310638f245b2
Source of Spectrum AD-0-2532-0
Synonyms 5-tert-Butyl-2-phenyl-3-pyrazolecarboxylic acid 5-tert-Butyl-2-phenyl-pyrazole-3-carboxylic acid Pyrazole-5-carboxylic acid, 3-tert-butyl-1-phenyl-
Wiley ID 1432258