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1,2-Benzenedicarboxylic acid, 4-benzoyl-, dimethyl ester
SpectraBase Compound ID 1JNPWVwxu9l
InChI InChI=1S/C17H14O5/c1-21-16(19)13-9-8-12(10-14(13)17(20)22-2)15(18)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKey XHWMROAXYGSJOD-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 1grAsxB1iVA
Name 1,2-Benzenedicarboxylic acid, 4-benzoyl-, dimethyl ester
Alternate Name(s) Dimethyl 4-benzoylphthalate
CAS Registry Number 67869-17-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14O5
InChI InChI=1S/C17H14O5/c1-21-16(19)13-9-8-12(10-14(13)17(20)22-2)15(18)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKey XHWMROAXYGSJOD-UHFFFAOYSA-N
Molecular Weight 298.294 g/mol
SMILES c1(c(C(=O)OC)ccc(c1)C(=O)c1ccccc1)C(=O)OC
SPLASH splash10-0a6r-5790000000-f71df229b440f684aada
Source of Spectrum I-56-1982-0
Wiley ID 1300923