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2-(4-ketochroman-2-yl)acetic acid ethyl ester
SpectraBase Compound ID EFJW7v4CWBD
InChI InChI=1S/C13H14O4/c1-2-16-13(15)8-9-7-11(14)10-5-3-4-6-12(10)17-9/h3-6,9H,2,7-8H2,1H3/t9-/m0/s1
InChIKey MMJIBTAYSXAVPX-VIFPVBQESA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1MqeVfY12c
Name 2-(4-ketochroman-2-yl)acetic acid ethyl ester
Alternate Name(s) 2-(4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)acetic acid ethyl ester Ethyl 2-(4-oxidanylidene-2,3-dihydrochromen-2-yl)ethanoate Ethyl 2-(4-oxo-2,3-dihydrochromen-2-yl)acetate Ethyl 2-(4-oxochroman-2-yl)acetate
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Formula C13H14O4
InChI InChI=1S/C13H14O4/c1-2-16-13(15)8-9-7-11(14)10-5-3-4-6-12(10)17-9/h3-6,9H,2,7-8H2,1H3/t9-/m0/s1
InChIKey MMJIBTAYSXAVPX-VIFPVBQESA-N
Molecular Weight 234.251 g/mol
SMILES C1(c2c(cccc2)O[C@@](C1)(CC(=O)OCC)[H])=O
SPLASH splash10-007t-9300000000-30c36aa2a4fe089563f8
Source of Spectrum F-50-11777-77
Wiley ID 789697