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2,2,2-trichloroethyl 8-(4-formylphenyl)naphthalene-1-carboxylate
SpectraBase Compound ID EtbmA57v5j6
InChI InChI=1S/C20H13Cl3O3/c21-20(22,23)12-26-19(25)17-6-2-4-15-3-1-5-16(18(15)17)14-9-7-13(11-24)8-10-14/h1-11H,12H2
InChIKey ITFZZIJGEUWKHA-UHFFFAOYSA-N
Mol Weight 407.68 g/mol
Molecular Formula C20H13Cl3O3
Exact Mass 405.993027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBA9XPmbOpT
Name 2,2,2-trichloroethyl 8-(4-formylphenyl)naphthalene-1-carboxylate
Alternate Name(s) 2,2,2-tris(chloranyl)ethyl 8-(4-methanoylphenyl)naphthalene-1-carboxylate 8-(4-formylphenyl)-1-naphthalenecarboxylic acid 2,2,2-trichloroethyl ester 8-(4-formylphenyl)naphthalene-1-carboxylic acid 2,2,2-trichloroethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C20H13Cl3O3
InChI InChI=1S/C20H13Cl3O3/c21-20(22,23)12-26-19(25)17-6-2-4-15-3-1-5-16(18(15)17)14-9-7-13(11-24)8-10-14/h1-11H,12H2
InChIKey ITFZZIJGEUWKHA-UHFFFAOYSA-N
Molecular Weight 407.680 g/mol
SMILES c12c(C(OCC(Cl)(Cl)Cl)=O)cccc2cccc1-c1ccc(C=O)cc1
SPLASH splash10-001i-0090400000-4367c38f4fa80365cbf6
Source of Spectrum J-62-8818-14
Wiley ID 1372031