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Dimethyl 5-acetylisophthalate
SpectraBase Compound ID FjY3Im8ADT1
InChI InChI=1S/C12H12O5/c1-7(13)8-4-9(11(14)16-2)6-10(5-8)12(15)17-3/h4-6H,1-3H3
InChIKey QHHWLAIBTRUGEX-UHFFFAOYSA-N
Mol Weight 236.22 g/mol
Molecular Formula C12H12O5
Exact Mass 236.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCDtBYpTjNA
Name Dimethyl 5-acetylisophthalate
CAS Registry Number 90909-67-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O5
InChI InChI=1S/C12H12O5/c1-7(13)8-4-9(11(14)16-2)6-10(5-8)12(15)17-3/h4-6H,1-3H3
InChIKey QHHWLAIBTRUGEX-UHFFFAOYSA-N
Molecular Weight 236.223 g/mol
SMILES c1(C(=O)OC)cc(C(=O)OC)cc(c1)C(=O)C
SPLASH splash10-00di-0290000000-f59827bde87fbe76d6b1
Source of Spectrum K-117-1633-0
Synonyms Dimethyl 5-acetylbenzene-1,3-dicarboxylate Dimethyl 5-ethanoylbenzene-1,3-dicarboxylate
Wiley ID 1237807