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Ethyl 3-(4-cyanophenyl)-2-hydroxy-2-pentylpropanoate
SpectraBase Compound ID 63RF2KVQYLd
InChI InChI=1S/C17H23NO3/c1-3-5-6-11-17(20,16(19)21-4-2)12-14-7-9-15(13-18)10-8-14/h7-10,20H,3-6,11-12H2,1-2H3
InChIKey SCRDYRMDEMSMJS-UHFFFAOYSA-N
Mol Weight 289.37 g/mol
Molecular Formula C17H23NO3
Exact Mass 289.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Ft5fKcpikH
Name Ethyl 3-(4-cyanophenyl)-2-hydroxy-2-pentylpropanoate
Alternate Name(s) Ethyl 2-(4-cyanobenzyl)-2-hydroxyheptanoate 2-[(4-cyanophenyl)methyl]-2-hydroxyheptanoic acid ethyl ester Ethyl 2-[(4-cyanophenyl)methyl]-2-hydroxyheptanoate Ethyl 2-[(4-cyanophenyl)methyl]-2-hydroxy-heptanoate Ethyl 2-[(4-cyanophenyl)methyl]-2-oxidanyl-heptanoate
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Formula C17H23NO3
InChI InChI=1S/C17H23NO3/c1-3-5-6-11-17(20,16(19)21-4-2)12-14-7-9-15(13-18)10-8-14/h7-10,20H,3-6,11-12H2,1-2H3
InChIKey SCRDYRMDEMSMJS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200900257
Molecular Weight 289.375 g/mol
SMILES OC(C(=O)OCC)(Cc1ccc(cc1)C#N)CCCCC
SPLASH splash10-014i-5960000000-f6c5bd297ceaf5825386
Source of Spectrum ASC-351-2178/SM16-8g
Wiley ID 1763319