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1,2-Benzenedicarboxylic acid, 3-benzoyl-, dimethyl ester
SpectraBase Compound ID IgA1LPicFg1
InChI InChI=1S/C17H14O5/c1-21-16(19)13-10-6-9-12(14(13)17(20)22-2)15(18)11-7-4-3-5-8-11/h3-10H,1-2H3
InChIKey KMACRIHAKZSDHU-UHFFFAOYSA-N
Mol Weight 298.29 g/mol
Molecular Formula C17H14O5
Exact Mass 298.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5PAUHpgyXAO
Name 1,2-Benzenedicarboxylic acid, 3-benzoyl-, dimethyl ester
Alternate Name(s) Dimethyl 3-benzoylphthalate Dimethyl 3-benzoylbenzene-1,2-dicarboxylate Dimethyl 3-(phenylcarbonyl)benzene-1,2-dicarboxylate
CAS Registry Number 67869-16-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14O5
InChI InChI=1S/C17H14O5/c1-21-16(19)13-10-6-9-12(14(13)17(20)22-2)15(18)11-7-4-3-5-8-11/h3-10H,1-2H3
InChIKey KMACRIHAKZSDHU-UHFFFAOYSA-N
Molecular Weight 298.294 g/mol
SMILES c1(c(c(C(=O)OC)ccc1)C(=O)OC)C(=O)c1ccccc1
SPLASH splash10-0600-1390000000-167d3f0e07281a2de107
Source of Spectrum I-56-1982-0
Wiley ID 1300922