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Benzoic acid, 3,5-bis(1,1-dimethylethyl)-, methyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Benzoic acid, 3,5-bis(1,1-dimethylethyl)-, methyl ester
SpectraBase Compound ID K4zOvcCQLlZ
InChI InChI=1S/C16H24O2/c1-15(2,3)12-8-11(14(17)18-7)9-13(10-12)16(4,5)6/h8-10H,1-7H3
InChIKey ZEIOQJMJXFVPOG-UHFFFAOYSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLm1mjJfiBk
Name 3,5-ditert-butylbenzoic acid methyl ester
Alternate Name(s) methyl 3,5-ditert-butylbenzoate
Comments Less than 3 mono-isotopic peaks
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Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-15(2,3)12-8-11(14(17)18-7)9-13(10-12)16(4,5)6/h8-10H,1-7H3
InChIKey ZEIOQJMJXFVPOG-UHFFFAOYSA-N
Molecular Weight 248.366 g/mol
SMILES c1(C(=O)OC)cc(C(C)(C)C)cc(c1)C(C)(C)C
SPLASH splash10-001i-0090000000-5a8c4ce945470521edf0
Source of Spectrum QA-33-76-12
Wiley ID 861027