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Permethyl monomethylphthalate glucuronide
SpectraBase Compound ID H7RO7wL2dII
InChI InChI=1S/C19H24O10/c1-23-12-13(24-2)15(25-3)19(27-5)28-14(12)18(22)29-17(21)11-9-7-6-8-10(11)16(20)26-4/h6-9,12-15,19H,1-5H3
InChIKey BXYGUOACEWGUQG-UHFFFAOYSA-N
Mol Weight 412.39 g/mol
Molecular Formula C19H24O10
Exact Mass 412.136947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7JhTTWLUyv6
Name Permethyl monomethylphthalate glucuronide
Alternate Name(s) permethylated methylphthalate glucuronide 2-(methoxycarbonyl)benzoyl methyl 2,3,4-tri-O-methylhexopyranosiduronate [2'',3'',4'',6''-tetramethyl-glucopyranos-1''-O-acyl]3-phenoxybenzoate
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Formula C19H24O10
InChI InChI=1S/C19H24O10/c1-23-12-13(24-2)15(25-3)19(27-5)28-14(12)18(22)29-17(21)11-9-7-6-8-10(11)16(20)26-4/h6-9,12-15,19H,1-5H3
InChIKey BXYGUOACEWGUQG-UHFFFAOYSA-N
Molecular Weight 412.391 g/mol
SMILES C1(OC(OC)C(C(C1OC)OC)OC)C(OC(c1c(C(=O)OC)cccc1)=O)=O
SPLASH splash10-03di-6900000000-266ab5e9a7db89120200
Source of Spectrum DU-1-504-28
Wiley ID 1374307