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Octyl benzoate

View entire compound with spectra: 1 NMR, 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 DVnVFEtQVeq
Name Benzoic acid, octyl ester
CAS Registry Number 94-50-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 CCCCCCCCOC(=O)c1ccccc1
SPLASH splash10-05fr-6910000000-b266040ac22dcf61036d
Source of Spectrum J-52-4326-13
Synonyms Octyl Benzoate n-Octyl benzoate AI3-30501 EINECS 202-339-1 NSC 21846
Wiley ID 1236416