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5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, octyl ester
SpectraBase Compound ID IbGRjhvhyg4
InChI InChI=1S/C17H20O5/c1-2-3-4-5-6-7-10-21-15(18)12-8-9-13-14(11-12)17(20)22-16(13)19/h8-9,11H,2-7,10H2,1H3
InChIKey GBDXMMIQIDZFCR-UHFFFAOYSA-N
Mol Weight 304.34 g/mol
Molecular Formula C17H20O5
Exact Mass 304.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CI1G3PwFm1
Name 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, octyl ester
Alternate Name(s) Octyl 1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylate 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, octyl ester 1,3-Diketophthalan-5-carboxylic acid octyl ester 1,3-Dioxo-5-isobenzofurancarboxylic acid octyl ester Octyl 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylate Octyl 1,3-dioxo-2-benzofuran-5-carboxylate Octyl 1,3-dioxoisobenzofuran-5-carboxylate
CAS Registry Number 22485-49-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O5
InChI InChI=1S/C17H20O5/c1-2-3-4-5-6-7-10-21-15(18)12-8-9-13-14(11-12)17(20)22-16(13)19/h8-9,11H,2-7,10H2,1H3
InChIKey GBDXMMIQIDZFCR-UHFFFAOYSA-N
Molecular Weight 304.342 g/mol
SMILES CCCCCCCCOC(c1ccc2c(c1)C(=O)OC2=O)=O
SPLASH splash10-000x-9300000000-6fc8895f6742e0de135e
Source of Spectrum SD-1981-0-0
Wiley ID 1306441