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Ethyl 1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate
SpectraBase Compound ID 6nOdxFvD1T2
InChI InChI=1S/C12H12O4/c1-2-15-12(14)10-7-8-5-3-4-6-9(8)11(13)16-10/h3-6,10H,2,7H2,1H3
InChIKey GAALWNMFPLBYNO-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 2wcXH3Rx94R
Name Ethyl 1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate
CAS Registry Number 16266-88-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O4
InChI InChI=1S/C12H12O4/c1-2-15-12(14)10-7-8-5-3-4-6-9(8)11(13)16-10/h3-6,10H,2,7H2,1H3
InChIKey GAALWNMFPLBYNO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol701622d
Molecular Weight 220.224 g/mol
SMILES c1cc2C(OC(Cc2cc1)C(=O)OCC)=O
SPLASH splash10-00ke-2900000000-b7ed3c25cb6a73e42dc1
Source of Spectrum A1-9-3833/SM19-7
Synonyms 1-Ketoisochroman-3-carboxylic acid ethyl ester 1-Oxo-isochroman-3-carboxylic acid ethyl ester 1-Oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid ethyl ester 1H-Isochromene-3-carboxylic acid, 3,4-dihydro-1-oxo-, ethyl ester Ethyl 1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate Ethyl 1-oxo-3,4-dihydroisochromene-3-carboxylate Ethyl 1-oxoisochromane-3-carboxylate Ethyl 1-oxoisochroman-3-carboxylate
Wiley ID 1758596