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Ethyl 2-Cyano-2-(p-methylphenyl)-3-methylpentanoate
SpectraBase Compound ID GD5VI4NQaKn
InChI InChI=1S/C16H21NO2/c1-5-13(4)16(11-17,15(18)19-6-2)14-9-7-12(3)8-10-14/h7-10,13H,5-6H2,1-4H3
InChIKey OVGPKCZTBYSKLK-UHFFFAOYSA-N
Mol Weight 259.35 g/mol
Molecular Formula C16H21NO2
Exact Mass 259.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gi3No66PxbT
Name Ethyl 2-Cyano-2-(p-methylphenyl)-3-methylpentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO2
InChI InChI=1S/C16H21NO2/c1-5-13(4)16(11-17,15(18)19-6-2)14-9-7-12(3)8-10-14/h7-10,13H,5-6H2,1-4H3
InChIKey OVGPKCZTBYSKLK-UHFFFAOYSA-N
Molecular Weight 259.349 g/mol
SMILES C(C(=O)OCC)(C#N)(c1ccc(cc1)C)C(CC)C
SPLASH splash10-0ufr-0690000000-f7577fbb5b5f0d3df9e0
Source of Spectrum B-44-369-0
Synonyms Ethyl 2-cyano-2-(p-tolyl)-3-methylpentanoate (less polar diastereomer) Ethyl 2-cyano-2-(p-tolyl)-3-methylpentanoate (more polar diastereomer) Ethyl 2-cyano-3-methyl-2-(4-methylphenyl)pentanoate
Wiley ID 1262881