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2-Benzyl-1,3-propanediol Monoacetate
SpectraBase Compound ID LAk7vgllUKK
InChI InChI=1S/C12H16O3/c1-10(14)15-9-12(8-13)7-11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3
InChIKey CBYFARAUSMBSDY-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8z7gpQ8pggd
Name 2-Benzyl-1,3-propanediol Monoacetate
Alternate Name(s) Acetic acid 2-hydroxymethyl-3-phenyl-propyl ester Acetic acid [2-(hydroxymethyl)-3-phenylpropyl] ester (2-benzyl-3-hydroxypropyl) acetate (2-benzyl-3-hydroxy-propyl) acetate [2-(hydroxymethyl)-3-phenyl-propyl] ethanoate
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Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-10(14)15-9-12(8-13)7-11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3
InChIKey CBYFARAUSMBSDY-UHFFFAOYSA-N
Molecular Weight 208.257 g/mol
SMILES OCC(COC(=O)C)Cc1ccccc1
SPLASH splash10-015a-1900000000-a1674a218506c8890faa
Source of Spectrum U1-2010-4681-10e
Wiley ID 1664291