4-(4-Cyclohexylanilino)-4-oxobut-2-enoic acid

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Systematic / IUPAC Name: (2E)-4-[(4-Cyclohexylphenyl)amino]-4-oxo-2-butenoic acid

ID: Reference6414

Other Names: 2-Butenoic acid, 4-[(4-cyclohexylphenyl)amino]-4-oxo-, (2E)-

Formula: C16H19NO3

Spectral Data

4-(4-Cyclohexylanilino)-4-oxobut-2-enoic acid 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 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/2/2017 8:04:47 AM
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Identificators

InChI InChI=1S/C16H19NO3/c18-15(10-11-16(19)20)17-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-12H,1-5H2,(H,17,18)(H,19,20)/b11-10+
InChI Key GOBXBQHFWNAXEM-ZHACJKMWSA-N
Canonical SMILES C1CCC(CC1)C2=CC=C(C=C2)NC(=O)C=CC(=O)O
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Other Names 2-Butenoic acid, 4-[(4-cyclohexylphenyl)amino]-4-oxo-, (2E)-

In Other Databases

PubChem 5702392
ChemSpider 4642740