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2,2-Dimethylbutanoic acid propan-2-yl ester
SpectraBase Compound ID GPThs6STl52
InChI InChI=1S/C9H18O2/c1-6-9(4,5)8(10)11-7(2)3/h7H,6H2,1-5H3
InChIKey BSQKFTUIWLMBMZ-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JpEWAdCjtnt
Name 2,2-Dimethylbutanoic acid propan-2-yl ester
Alternate Name(s) 2,2-Dimethylbutyric acid isopropyl ester isopropyl 2,2-dimethylbutanoate Propan-2-yl 2,2-dimethylbutanoate
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Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-6-9(4,5)8(10)11-7(2)3/h7H,6H2,1-5H3
InChIKey BSQKFTUIWLMBMZ-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES C(C(CC)(C)C)(OC(C)C)=O
SPLASH splash10-00dr-9200000000-c756681f76189444ba5e
Source of Spectrum AT-40-5900-3
Wiley ID 854620