4-(4-Ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

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Systematic / IUPAC Name: 4-(4-Ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

ID: Reference6753

Other Names: 3-Quinolinecarbonitrile, 4-(4-ethylphenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-;
4-(4-Ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carbon itrile;
4-(4-Et-Ph)-2,7,7-Trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carbonitrile

Formula: C21H24N2O

Spectral Data

4-(4-Ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 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 210
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/28/2017 8:32:04 AM
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Identificators

InChI InChI=1S/C21H24N2O/c1-5-14-6-8-15(9-7-14)19-16(12-22)13(2)23-17-10-21(3,4)11-18(24)20(17)19/h6-9,19,23H,5,10-11H2,1-4H3
InChI Key UTCBNEKLZHKTHN-UHFFFAOYSA-N
Canonical SMILES CCC1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CC(C3)(C)C)C)C#N
CAS
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Other Names 3-Quinolinecarbonitrile, 4-(4-ethylphenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-;
4-(4-Ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carbon itrile;
4-(4-Et-Ph)-2,7,7-Trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carbonitrile

In Other Databases

ChemSpider 2096591
PubChem 2818323