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Methyl 3-hydroxy-4-pivaloylbenzoate
SpectraBase Compound ID 5wdpXB7f0xd
InChI InChI=1S/C13H16O4/c1-13(2,3)11(15)9-6-5-8(7-10(9)14)12(16)17-4/h5-7,14H,1-4H3
InChIKey DWPWUUANEZDHCK-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8NJ083ABiYV
Name Methyl 3-hydroxy-4-pivaloylbenzoate
Alternate Name(s) 4-(2,2-dimethyl-1-oxopropyl)-3-hydroxybenzoic acid methyl ester Methyl 4-(2,2-dimethylpropanoyl)-3-hydroxybenzoate Methyl 4-(2,2-dimethylpropanoyl)-3-hydroxy-benzoate Methyl 4-(2,2-dimethylpropanoyl)-3-oxidanyl-benzoate
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Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-13(2,3)11(15)9-6-5-8(7-10(9)14)12(16)17-4/h5-7,14H,1-4H3
InChIKey DWPWUUANEZDHCK-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol302956s
Molecular Weight 236.267 g/mol
SMILES Oc1c(C(C(C)(C)C)=O)ccc(c1)C(OC)=O
SPLASH splash10-004i-2900000000-c8538c56871fc5cf0266
Source of Spectrum A1-14-6206/SM12-2r
Wiley ID 1750865