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Ethyl 4-(2-Chloroethyl)-6-heptyl-1-hydroxy-3,5-dimethyl-2-benzoate
SpectraBase Compound ID 95O1szDdQUR
InChI InChI=1S/C20H31ClO3/c1-5-7-8-9-10-11-17-14(3)16(12-13-21)15(4)18(19(17)22)20(23)24-6-2/h22H,5-13H2,1-4H3
InChIKey OQPMUGVKQHEHTQ-UHFFFAOYSA-N
Mol Weight 354.92 g/mol
Molecular Formula C20H31ClO3
Exact Mass 354.196173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRavWCmRqSO
Name Ethyl 4-(2-Chloroethyl)-6-heptyl-1-hydroxy-3,5-dimethyl-2-benzoate
Alternate Name(s) 5-(2-Chloroethyl)-3-heptyl-2-hydroxy-4,6-dimethylbenzoic acid ethyl ester Ethyl 5-(2-chloroethyl)-3-heptyl-2-hydroxy-4,6-dimethylbenzoate Ethyl 5-(2-chloroethyl)-3-heptyl-2-hydroxy-4,6-dimethyl-benzoate Ethyl 3-(2-chloroethyl)-5-heptyl-2,4-dimethyl-6-oxidanyl-benzoate
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Formula C20H31ClO3
InChI InChI=1S/C20H31ClO3/c1-5-7-8-9-10-11-17-14(3)16(12-13-21)15(4)18(19(17)22)20(23)24-6-2/h22H,5-13H2,1-4H3
InChIKey OQPMUGVKQHEHTQ-UHFFFAOYSA-N
Molecular Weight 354.918 g/mol
SMILES Oc1c(c(c(c(C)c1CCCCCCC)CCCl)C)C(=O)OCC
SPLASH splash10-00b9-9111000000-f52a641935434e623820
Source of Spectrum F-69-9132-3
Wiley ID 1595975