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1-Phenylpropyl benzoate

View entire compound with spectra: 1 MS (GC)

1-Phenylpropyl benzoate
SpectraBase Compound ID 79ICuMzKH6r
InChI InChI=1S/C16H16O2/c1-2-15(13-9-5-3-6-10-13)18-16(17)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKey XCHIHJDABCLLEG-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C16H16O2
Exact Mass 240.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LKY28OUzORe
Name 1-Phenylpropyl benzoate
Alternate Name(s) benzoic acid 1-phenylpropyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O2
InChI InChI=1S/C16H16O2/c1-2-15(13-9-5-3-6-10-13)18-16(17)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKey XCHIHJDABCLLEG-UHFFFAOYSA-N
Molecular Weight 240.302 g/mol
SMILES C(c1ccccc1)(=O)OC(CC)c1ccccc1
SPLASH splash10-066u-2900000000-91dc21346a11785eff17
Source of Spectrum SO-0-70-4
Wiley ID 1541923