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1,2-Benzenedicarboxylic acid butyl methylester
SpectraBase Compound ID 2s1ekgSES0s
InChI InChI=1S/C13H16O4/c1-3-4-9-17-13(15)11-8-6-5-7-10(11)12(14)16-2/h5-8H,3-4,9H2,1-2H3
InChIKey XXFSYINDUHLBIL-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8bc8hcHUiem
Name 1,2-Benzenedicarboxylic acid, butyl methyl ester
Alternate Name(s) 1-Butyl 2-methyl phthalate 2-O-butyl 1-O-methyl benzene-1,2-dicarboxylate benzene-1,2-dicarboxylic acid O2-butyl ester O1-methyl ester Butyl methyl phthalate Methyl butyl phthalate O2-butyl O1-methyl benzene-1,2-dicarboxylate Phthalic acid, butyl methyl ester AI3-03342
CAS Registry Number 34006-76-3
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Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-3-4-9-17-13(15)11-8-6-5-7-10(11)12(14)16-2/h5-8H,3-4,9H2,1-2H3
InChIKey XXFSYINDUHLBIL-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES C(=O)(c1c(cccc1)C(=O)OCCCC)OC
SPLASH splash10-03dj-3900000000-49bf3ac19a73d8af74cc
Wiley ID 1491426