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1-Isobenzofuranacetic acid, 4-chloro-1,3-dihydro-3-oxo-, ethyl ester
SpectraBase Compound ID 5gl9zSAqGrk
InChI InChI=1S/C12H11ClO4/c1-2-16-10(14)6-9-7-4-3-5-8(13)11(7)12(15)17-9/h3-5,9H,2,6H2,1H3
InChIKey HFFRGCJMWVLFFD-UHFFFAOYSA-N
Mol Weight 254.67 g/mol
Molecular Formula C12H11ClO4
Exact Mass 254.034587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DtKMUneEKKJ
Name 1-Isobenzofuranacetic acid, 4-chloro-1,3-dihydro-3-oxo-, ethyl ester
CAS Registry Number 83465-52-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11ClO4
InChI InChI=1S/C12H11ClO4/c1-2-16-10(14)6-9-7-4-3-5-8(13)11(7)12(15)17-9/h3-5,9H,2,6H2,1H3
InChIKey HFFRGCJMWVLFFD-UHFFFAOYSA-N
Molecular Weight 254.669 g/mol
SMILES C1(c2c(cccc2Cl)C(O1)CC(=O)OCC)=O
SPLASH splash10-0002-0900000000-13b5180a1de9dc77d25b
Source of Spectrum KC-1982-1860-0
Synonyms 7-Chloro-3-ethoxycarbonylmethylphthalide Ethyl (4-chloro-3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate
Wiley ID 1257342