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Benzoic acid, 4-methyl-, 2-hydroxy-2-phenylpropyl ester
SpectraBase Compound ID 13AFbEj0z7B
InChI InChI=1S/C17H18O3/c1-13-8-10-14(11-9-13)16(18)20-12-17(2,19)15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3
InChIKey KHSOMQRDQANQCC-UHFFFAOYSA-N
Mol Weight 270.33 g/mol
Molecular Formula C17H18O3
Exact Mass 270.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tSIg0GaYsL
Name Benzoic acid, 4-methyl-, 2-hydroxy-2-phenylpropyl ester
Alternate Name(s) (2-hydroxy-2-phenyl-propyl) 4-methylbenzoate (2-oxidanyl-2-phenyl-propyl) 4-methylbenzoate 4-Methylbenzoic acid (2-hydroxy-2-phenyl-propyl) ester 4-Methylbenzoic acid (2-hydroxy-2-phenylpropyl) ester
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Formula C17H18O3
InChI InChI=1S/C17H18O3/c1-13-8-10-14(11-9-13)16(18)20-12-17(2,19)15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3
InChIKey KHSOMQRDQANQCC-UHFFFAOYSA-N
Molecular Weight 270.328 g/mol
SMILES OC(COC(c1ccc(C)cc1)=O)(C)c1ccccc1
SPLASH splash10-006x-9800000000-1e1e88bae2e48c4c8d2b
Wiley ID 1494496