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2-cyano-5-oxo-3-phenyl-2-methylhexanoic acid ethyl ester
SpectraBase Compound ID 7eB54DmnmC3
InChI InChI=1S/C16H19NO3/c1-4-20-15(19)16(3,11-17)14(10-12(2)18)13-8-6-5-7-9-13/h5-9,14H,4,10H2,1-3H3
InChIKey YGNDKGVYPGZYHR-UHFFFAOYSA-N
Mol Weight 273.33 g/mol
Molecular Formula C16H19NO3
Exact Mass 273.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6RCN3y47jp1
Name 2-cyano-5-oxo-3-phenyl-2-methylhexanoic acid ethyl ester
CAS Registry Number 115906-97-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO3
InChI InChI=1S/C16H19NO3/c1-4-20-15(19)16(3,11-17)14(10-12(2)18)13-8-6-5-7-9-13/h5-9,14H,4,10H2,1-3H3
InChIKey YGNDKGVYPGZYHR-UHFFFAOYSA-N
Molecular Weight 273.332 g/mol
SMILES C(C(CC(=O)C)c1ccccc1)(C(=O)OCC)(C#N)C
SPLASH splash10-002e-9770000000-aa54982507483d52093e
Source of Spectrum J-55-2512-8
Synonyms Ethyl 2-cyano-2-methyl-5-oxo-3-phenylhexanoate
Wiley ID 1277320