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3-ketophthalan-5-carboxylic acid ethyl ester
SpectraBase Compound ID CFPpGVD3oQ2
InChI InChI=1S/C11H10O4/c1-2-14-10(12)7-3-4-8-6-15-11(13)9(8)5-7/h3-5H,2,6H2,1H3
InChIKey RNKCOEWUOUEICD-UHFFFAOYSA-N
Mol Weight 206.2 g/mol
Molecular Formula C11H10O4
Exact Mass 206.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Co6yvveIA1o
Name 3-ketophthalan-5-carboxylic acid ethyl ester
CAS Registry Number 96259-62-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10O4
InChI InChI=1S/C11H10O4/c1-2-14-10(12)7-3-4-8-6-15-11(13)9(8)5-7/h3-5H,2,6H2,1H3
InChIKey RNKCOEWUOUEICD-UHFFFAOYSA-N
Molecular Weight 206.197 g/mol
SMILES c12C(OCc2ccc(c1)C(=O)OCC)=O
SPLASH splash10-03di-0910000000-91469450614984a09624
Source of Spectrum J-50-2133-23
Synonyms 3-Oxo-1H-isobenzofuran-5-carboxylic acid ethyl ester Ethyl 3-oxidanylidene-1H-2-benzofuran-5-carboxylate Ethyl 3-oxo-1H-2-benzofuran-5-carboxylate Ethyl 3-oxo-1H-isobenzofuran-5-carboxylate
Wiley ID 1204188