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Butanedioic acid, mono[4-(1,1-dimethylethyl)phenyl] ester
SpectraBase Compound ID 5xNqHDmikfy
InChI InChI=1S/C14H18O4/c1-14(2,3)10-4-6-11(7-5-10)18-13(17)9-8-12(15)16/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKey AWBLCPVVBWNRLM-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVPwjLGoVFK
Name Butanedioic acid, mono[4-(1,1-dimethylethyl)phenyl] ester
Alternate Name(s) 4-(4-(tert-butyl)phenoxy)-4-oxobutanoic acid 4-(4-tert-butylphenoxy)-4-oxobutanoic acid 4-(4-tert-butylphenoxy)-4-oxo-butanoic acid 4-(4-tert-butylphenoxy)-4-oxidanylidene-butanoic acid
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Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-14(2,3)10-4-6-11(7-5-10)18-13(17)9-8-12(15)16/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKey AWBLCPVVBWNRLM-UHFFFAOYSA-N
Molecular Weight 250.294 g/mol
SMILES OC(CCC(Oc1ccc(C(C)(C)C)cc1)=O)=O
SPLASH splash10-0f9i-8900000000-ca8d770724bbee764f2b
Source of Spectrum JX-2015-1-645
Wiley ID 1721440