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3-methyl-5-phenyl-pentanoic acid ethyl ester
SpectraBase Compound ID HwudbvBAO2I
InChI InChI=1S/C14H20O2/c1-3-16-14(15)11-12(2)9-10-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3/t12-/m1/s1
InChIKey CFNAWDIBNOXCTQ-GFCCVEGCSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1xsjwVbits
Name 3-methyl-5-phenyl-pentanoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-3-16-14(15)11-12(2)9-10-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3/t12-/m1/s1
InChIKey CFNAWDIBNOXCTQ-GFCCVEGCSA-N
Ionization Type EI
Molecular Weight 220.312 g/mol
SMILES C(OCC)(=O)C[C@](C)(CCc1ccccc1)[H]
SPLASH splash10-0006-9100000000-56fb3e80abd0b6335b3d
Sample Comments 85% ee
Source of Spectrum CN101555259B
Wiley ID 1844602