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5-Isobenzofurancarboxylic acid, 1,3-dihydro-3-oxo-, nonyl ester
SpectraBase Compound ID BRbzylmKp3h
InChI InChI=1S/C18H24O4/c1-2-3-4-5-6-7-8-11-21-17(19)14-9-10-15-13-22-18(20)16(15)12-14/h9-10,12H,2-8,11,13H2,1H3
InChIKey XJAXUZMCYRLFLG-UHFFFAOYSA-N
Mol Weight 304.39 g/mol
Molecular Formula C18H24O4
Exact Mass 304.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9hZ5NgFMHlV
Name 5-Isobenzofurancarboxylic acid, 1,3-dihydro-3-oxo-, nonyl ester
CAS Registry Number 54699-44-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O4
InChI InChI=1S/C18H24O4/c1-2-3-4-5-6-7-8-11-21-17(19)14-9-10-15-13-22-18(20)16(15)12-14/h9-10,12H,2-8,11,13H2,1H3
InChIKey XJAXUZMCYRLFLG-UHFFFAOYSA-N
Molecular Weight 304.386 g/mol
SMILES CCCCCCCCCOC(c1ccc2COC(c2c1)=O)=O
SPLASH splash10-004i-6900000000-ca7c3312d3ef829dfcab
Source of Spectrum SD-1981-0-0
Synonyms Nonyl 3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate 3-ketophthalan-5-carboxylic acid nonyl ester 3-Oxo-1H-isobenzofuran-5-carboxylic acid nonyl ester nonyl 3-oxidanylidene-1H-2-benzofuran-5-carboxylate nonyl 3-oxo-1H-2-benzofuran-5-carboxylate nonyl 3-oxo-1H-isobenzofuran-5-carboxylate
Wiley ID 1306551