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4-(2-Hydroxy-2-methylpropyl)phenylacetic acid methyl ester
SpectraBase Compound ID 9w9yQecd2u6
InChI InChI=1S/C13H18O3/c1-13(2,15)9-11-6-4-10(5-7-11)8-12(14)16-3/h4-7,15H,8-9H2,1-3H3
InChIKey XGYSCAIPXMGKTB-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0TaihCR1Um
Name 4-(2-Hydroxy-2-methylpropyl)phenylacetic acid methyl ester
Alternate Name(s) Methyl[4-(2-hydroxy-2-methylpropyl)phenyl]acetate
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Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-13(2,15)9-11-6-4-10(5-7-11)8-12(14)16-3/h4-7,15H,8-9H2,1-3H3
InChIKey XGYSCAIPXMGKTB-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES OC(Cc1ccc(CC(=O)OC)cc1)(C)C
SPLASH splash10-0pb9-2900000000-13a13fcdcb0ae27ee33a
Source of Spectrum KO-5-489-2
Wiley ID 1222515