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
CP-401387 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
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 |
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 |
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Other Names | Cyclohexanecarboxylic acid, 4-cyano-4-(1-cyclohexyl-3-ethyl-1H-indazol-6-yl)- |