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Butyl 1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylate
SpectraBase Compound ID CGW5ZQjFuEu
InChI InChI=1S/C13H12O5/c1-2-3-6-17-11(14)8-4-5-9-10(7-8)13(16)18-12(9)15/h4-5,7H,2-3,6H2,1H3
InChIKey WHZZRBITVLHZEV-UHFFFAOYSA-N
Mol Weight 248.23 g/mol
Molecular Formula C13H12O5
Exact Mass 248.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFum85KoHUb
Name 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, butyl ester
Alternate Name(s) Butyl 1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylate 1,3-Diketophthalan-5-carboxylic acid butyl ester 1,3-Dioxo-5-isobenzofurancarboxylic acid butyl ester Butyl 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylate Butyl 1,3-dioxo-2-benzofuran-5-carboxylate Butyl 1,3-dioxoisobenzofuran-5-carboxylate
CAS Registry Number 1528-45-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O5
InChI InChI=1S/C13H12O5/c1-2-3-6-17-11(14)8-4-5-9-10(7-8)13(16)18-12(9)15/h4-5,7H,2-3,6H2,1H3
InChIKey WHZZRBITVLHZEV-UHFFFAOYSA-N
Molecular Weight 248.234 g/mol
SMILES CCCCOC(c1ccc2c(c1)C(=O)OC2=O)=O
SPLASH splash10-0a6u-8900000000-28d11a4a7b69f39b36bd
Source of Spectrum SD-1981-0-0
Wiley ID 1250859