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1,1,1-Trichloro-2-methylpropan-2-yl Benzoate
SpectraBase Compound ID 3b7Aw5SGvND
InChI InChI=1S/C11H11Cl3O2/c1-10(2,11(12,13)14)16-9(15)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey WURVYXBIVSEGKQ-UHFFFAOYSA-N
Mol Weight 281.57 g/mol
Molecular Formula C11H11Cl3O2
Exact Mass 279.982463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7sJGXfAypOk
Name 1,1,1-Trichloro-2-methylpropan-2-yl Benzoate
Alternate Name(s) benzoic acid (1,1,1-trichloro-2-methylpropan-2-yl) ester (1,1,1-trichloro-2-methylpropan-2-yl) benzoate (2,2,2-trichloro-1,1-dimethyl-ethyl) benzoate [1,1,1-tris(chloranyl)-2-methyl-propan-2-yl] benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C11H11Cl3O2
InChI InChI=1S/C11H11Cl3O2/c1-10(2,11(12,13)14)16-9(15)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey WURVYXBIVSEGKQ-UHFFFAOYSA-N
Molecular Weight 281.566 g/mol
SMILES C(C(OC(=O)c1ccccc1)(C)C)(Cl)(Cl)Cl
SPLASH splash10-0a4i-0910000000-76b5298ec645865caa7a
Source of Spectrum F4-40-3620-4z
Wiley ID 1671239