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Pentanoic acid, phenylmethyl ester
SpectraBase Compound ID 4PdQNuxQLKf
InChI InChI=1S/C12H16O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChIKey YZJCDVRXBOPXSQ-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 GH1VAyJsW7P
Name Benzyl pentanoate
Appearance Light-yellow oil
Carrier Gas Argon
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Exact Mass 192.115029753 u
Formula C12H16O2
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C12H16O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChIKey YZJCDVRXBOPXSQ-UHFFFAOYSA-N
Instrument Name Agilent HP-7890A-AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211939
Molecular Weight 192.258 g/mol
Quality 285
Reported Formula C12H16O2
SMILES C1(=CC=CC=C1)COC(CCCC)=O
SPLASH splash10-052f-9500000000-82aceff8a50eefb0808e
Source of Spectrum ACI-61-SM37-40 (DOI: 10.1002/anie.202211939)
Wiley ID 1899555