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Phenylacetic acid, butyl ester
SpectraBase Compound ID 6SNYkVPqRXA
InChI InChI=1S/C12H16O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChIKey LDOXTQYWWYXYSQ-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ju48HTQPy8u
Name Acetic acid, phenyl-, butyl ester
CAS Registry Number 122-43-0
Comments Less than 3 mono-isotopic peaks
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Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChIKey LDOXTQYWWYXYSQ-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
SMILES C(Cc1ccccc1)(=O)OCCCC
SPLASH splash10-0006-9000000000-1a5d6cc345d3c9c147e6
Source of Spectrum D1-2007-2212-6
Synonyms 2-phenylacetic acid butyl ester Benzeneacetic acid, butyl ester butyl 2-phenylacetate butyl 2-phenylethanoate Butyl benzene acetate Butyl phenylethanoate n-Butyl phenyl acetate Phenylethanoic acid butyl ester AI3-02942 BRN 2046682 EINECS 204-543-6 FEMA NO. 2209
Wiley ID 1639527