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1-Ethyl 2-Methyl 4-Hexyl-3-hydroxy-5-methylphthalate
SpectraBase Compound ID 7a3z7se65dm
InChI InChI=1S/C18H26O5/c1-5-7-8-9-10-13-12(3)11-14(17(20)23-6-2)15(16(13)19)18(21)22-4/h11,19H,5-10H2,1-4H3
InChIKey DBQYLHXMSGKGKB-UHFFFAOYSA-N
Mol Weight 322.4 g/mol
Molecular Formula C18H26O5
Exact Mass 322.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5LPgAabq7hW
Name 1-Ethyl 2-Methyl 4-Hexyl-3-hydroxy-5-methylphthalate
Alternate Name(s) 4-Hexyl-3-hydroxy-5-methylbenzene-1,2-dicarboxylic acid O1-ethyl ester O2-methyl ester 1-O-ethyl 2-O-methyl 4-hexyl-3-hydroxy-5-methylbenzene-1,2-dicarboxylate O1-ethyl O2-methyl 4-hexyl-3-hydroxy-5-methyl-benzene-1,2-dicarboxylate O1-ethyl O2-methyl 4-hexyl-5-methyl-3-oxidanyl-benzene-1,2-dicarboxylate
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Formula C18H26O5
InChI InChI=1S/C18H26O5/c1-5-7-8-9-10-13-12(3)11-14(17(20)23-6-2)15(16(13)19)18(21)22-4/h11,19H,5-10H2,1-4H3
InChIKey DBQYLHXMSGKGKB-UHFFFAOYSA-N
Molecular Weight 322.401 g/mol
SMILES Oc1c(c(cc(c1CCCCCC)C)C(=O)OCC)C(=O)OC
SPLASH splash10-00di-0391000000-c5b010a0b0522ee449db
Source of Spectrum U1-2010-3737-4d
Wiley ID 1663917