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5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, dodecyl ester
SpectraBase Compound ID AgJqOMoiGX7
InChI InChI=1S/C21H28O5/c1-2-3-4-5-6-7-8-9-10-11-14-25-19(22)16-12-13-17-18(15-16)21(24)26-20(17)23/h12-13,15H,2-11,14H2,1H3
InChIKey XYYCSQGLMVDENW-UHFFFAOYSA-N
Mol Weight 360.45 g/mol
Molecular Formula C21H28O5
Exact Mass 360.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDuQ1Fl5qJh
Name 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, dodecyl ester
CAS Registry Number 22485-51-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O5
InChI InChI=1S/C21H28O5/c1-2-3-4-5-6-7-8-9-10-11-14-25-19(22)16-12-13-17-18(15-16)21(24)26-20(17)23/h12-13,15H,2-11,14H2,1H3
InChIKey XYYCSQGLMVDENW-UHFFFAOYSA-N
Molecular Weight 360.450 g/mol
SMILES CCCCCCCCCCCCOC(c1ccc2c(c1)C(=O)OC2=O)=O
SPLASH splash10-0006-6900000000-a014cb4a72b76b6db473
Source of Spectrum SD-1981-0-0
Synonyms Dodecyl 1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylate 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, dodecyl ester 1,3-Diketophthalan-5-carboxylic acid lauryl ester 1,3-Dioxo-5-isobenzofurancarboxylic acid dodecyl ester Dodecyl 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylate Dodecyl 1,3-dioxo-2-benzofuran-5-carboxylate Dodecyl 1,3-dioxoisobenzofuran-5-carboxylate
Wiley ID 1348422