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2-(Cyclohexylcarbamoyl)-3-phenylpropanoic acid
SpectraBase Compound ID 7JCEuLSJqDl
InChI InChI=1S/C16H21NO3/c18-15(17-13-9-5-2-6-10-13)14(16(19)20)11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,17,18)(H,19,20)
InChIKey GUYYBWWGPSFJCU-UHFFFAOYSA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D48gOudbHl1
Name 2-(Cyclohexylcarbamoyl)-3-phenylpropanoic acid
Alternate Name(s) 2-Benzyl-N-cyclohexyl-3-oxo-.beta.-alanine
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Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c18-15(17-13-9-5-2-6-10-13)14(16(19)20)11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,17,18)(H,19,20)
InChIKey GUYYBWWGPSFJCU-UHFFFAOYSA-N
Molecular Weight 275.348 g/mol
SMILES N(C(C(C(=O)O)Cc1ccccc1)=O)C1CCCCC1
SPLASH splash10-001i-2390000000-08d1384a9b67144ed912
Source of Spectrum F4-0-3095-6
Wiley ID 1620659