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Dimethyl 4,5-dimethylphthalate

View entire compound with spectra: 3 MS (GC)

Dimethyl 4,5-dimethylphthalate
SpectraBase Compound ID 6OcUyFR0qBy
InChI InChI=1S/C12H14O4/c1-7-5-9(11(13)15-3)10(6-8(7)2)12(14)16-4/h5-6H,1-4H3
InChIKey BMODQQWZCVNPKL-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4To7kRvt7f4
Name Dimethyl 4,5-dimethylphthalate
Alternate Name(s) 4,5-Dimethylbenzene-1,2-dicarboxylic acid dimethyl ester Dimethyl 4,5-dimethylbenzene-1,2-dicarboxylate Phthalic acid, 4,5-dimethyl-, dimethyl ester
CAS Registry Number 17649-59-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-7-5-9(11(13)15-3)10(6-8(7)2)12(14)16-4/h5-6H,1-4H3
InChIKey BMODQQWZCVNPKL-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES C(=O)(c1c(cc(c(C)c1)C)C(=O)OC)OC
SPLASH splash10-0006-2910000000-011af1d9b78dca65e6a5
Wiley ID 1490352