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1-(4-methoxyphenyl)pentan-2-yl benzoate
SpectraBase Compound ID 9CaEqlNJlT6
InChI InChI=1S/C19H22O3/c1-3-7-18(14-15-10-12-17(21-2)13-11-15)22-19(20)16-8-5-4-6-9-16/h4-6,8-13,18H,3,7,14H2,1-2H3
InChIKey MQGVXWFLJWMOBL-UHFFFAOYSA-N
Mol Weight 298.38 g/mol
Molecular Formula C19H22O3
Exact Mass 298.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kzzxl9vggb6
Name 1-(4-methoxyphenyl)pentan-2-yl benzoate
Appearance Colorless oil
Carrier Gas Methane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.156894565 u
Formula C19H22O3
InChI InChI=1S/C19H22O3/c1-3-7-18(14-15-10-12-17(21-2)13-11-15)22-19(20)16-8-5-4-6-9-16/h4-6,8-13,18H,3,7,14H2,1-2H3
InChIKey MQGVXWFLJWMOBL-UHFFFAOYSA-N
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/chem.202201761
Quality 108
Reported Formula C19H22O3
SMILES COC1=CC=C(C=C1)CC(CCC)OC(C1=CC=CC=C1)=O
SPLASH splash10-056s-1900000000-fb01eef0cebddc4e0d74
Source of Spectrum QE-28-SM36-7e (DOI: 10.1002/chem.202201761)
Thin-Layer Chromatography 0.24 (n-pentane/EtOAc, 20:1)
Wiley ID 1900714