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Octyl benzoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

Octyl benzoate
SpectraBase Compound ID 38H0i29RsMd
InChI InChI=1S/C15H22O2/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
InChIKey VECVSKFWRQYTAL-UHFFFAOYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I4F1wW2EVmk
Name Benzoic acid, octyl ester
CAS Registry Number 94-50-8
Comments Less than 3 mono-isotopic peaks
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Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
InChIKey VECVSKFWRQYTAL-UHFFFAOYSA-N
Molecular Weight 234.339 g/mol
SMILES C(=O)(c1ccccc1)OCCCCCCCC
SPLASH splash10-00di-0900000000-6f613f95104d5e761e59
Source of Spectrum F4-40-3629-4h
Synonyms Octyl Benzoate n-Octyl benzoate AI3-30501 EINECS 202-339-1 NSC 21846
Wiley ID 1671257