CP-401387

Systematic / IUPAC Name: 4-Cyano-4-(1-cyclohexyl-3-ethyl-1H-indazol-6-yl)cyclohexanecarboxylic acid

ID: Reference3158

Other Names: Cyclohexanecarboxylic acid, 4-cyano-4-(1-cyclohexyl-3-ethyl-1H-indazol-6-yl)-

Formula: C23H29N3O2

Spectral Data

CP-401387 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 220
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/22/2015 12:15:42 PM
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Identificators

InChI InChI=1S/C23H29N3O2/c1-2-20-19-9-8-17(23(15-24)12-10-16(11-13-23)22(27)28)14-21(19)26(25-20)18-6-4-3-5-7-18/h8-9,14,16,18H,2-7,10-13H2,1H3,(H,27,28)
InChI Key PRUGWHGQBHEDAX-UHFFFAOYSA-N
Canonical SMILES CCC1=NN(C2=C1C=CC(=C2)C3(CCC(CC3)C(=O)O)C#N)C4CCCCC4
CAS
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Other Names Cyclohexanecarboxylic acid, 4-cyano-4-(1-cyclohexyl-3-ethyl-1H-indazol-6-yl)-

In Other Databases

PubChem 9799979
ChemSpider 7975744