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2-(3-oxo-1H-isobenzofuran-1-yl)acetic acid ethyl ester
SpectraBase Compound ID AKAATsJIzHw
InChI InChI=1S/C12H12O4/c1-2-15-11(13)7-10-8-5-3-4-6-9(8)12(14)16-10/h3-6,10H,2,7H2,1H3
InChIKey BAJHDQGDIOXFJC-UHFFFAOYSA-N
Mol Weight 220.22 g/mol
Molecular Formula C12H12O4
Exact Mass 220.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Nd0Hz8aGgu
Name 2-(3-oxo-1H-isobenzofuran-1-yl)acetic acid ethyl ester
CAS Registry Number 83465-27-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O4
InChI InChI=1S/C12H12O4/c1-2-15-11(13)7-10-8-5-3-4-6-9(8)12(14)16-10/h3-6,10H,2,7H2,1H3
InChIKey BAJHDQGDIOXFJC-UHFFFAOYSA-N
Molecular Weight 220.224 g/mol
SMILES C1(OC(CC(=O)OCC)c2c1cccc2)=O
SPLASH splash10-0532-1900000000-f76a4383e1c915eec124
Source of Spectrum SK-27-3454-13
Synonyms 2-Phthalidylacetic acid ethyl ester Ethyl 2-(3-oxidanylidene-1H-2-benzofuran-1-yl)ethanoate Ethyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate Ethyl 2-(3-oxo-1H-isobenzofuran-1-yl)acetate
Wiley ID 868010