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2-Phenylbutanoic acid butyl ester
SpectraBase Compound ID B1cYtwMtp3c
InChI InChI=1S/C14H20O2/c1-3-5-11-16-14(15)13(4-2)12-9-7-6-8-10-12/h6-10,13H,3-5,11H2,1-2H3
InChIKey UZJFIFOABDZLRV-UHFFFAOYSA-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 B0WvYyb0Kae
Name 2-Phenylbutanoic acid butyl ester
Alternate Name(s) 2-Phenylbutyric acid butyl ester Butyl 2-phenylbutanoate
CAS Registry Number 127036-18-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-3-5-11-16-14(15)13(4-2)12-9-7-6-8-10-12/h6-10,13H,3-5,11H2,1-2H3
InChIKey UZJFIFOABDZLRV-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
SMILES C(C(c1ccccc1)CC)(=O)OCCCC
SPLASH splash10-00kf-9800000000-5c3c36dfd4a57175c5fc
Source of Spectrum J-55-3639-43
Wiley ID 1220236