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2-(4-ketochroman-2-yl)acetic acid methyl ester
SpectraBase Compound ID 7235EXclFxZ
InChI InChI=1S/C12H12O4/c1-15-12(14)7-8-6-10(13)9-4-2-3-5-11(9)16-8/h2-5,8H,6-7H2,1H3/t8-/m0/s1
InChIKey BVQKVQJJUFUCMA-QMMMGPOBSA-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 UUAPxlaee
Name 2-(4-ketochroman-2-yl)acetic acid methyl ester
Alternate Name(s) 2-(4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)acetic acid methyl ester Methyl 2-(4-oxidanylidene-2,3-dihydrochromen-2-yl)ethanoate Methyl 2-(4-oxo-2,3-dihydrochromen-2-yl)acetate Methyl 2-(4-oxochroman-2-yl)acetate 2-[(2S)-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]acetic acid methyl ester Methyl 2-[(2S)-4-oxo-2,3-dihydrochromen-2-yl]acetate Methyl 2-[(2S)-4-oxochroman-2-yl]acetate Methyl 2-[(2S)-4-oxidanylidene-2,3-dihydrochromen-2-yl]ethanoate
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Formula C12H12O4
InChI InChI=1S/C12H12O4/c1-15-12(14)7-8-6-10(13)9-4-2-3-5-11(9)16-8/h2-5,8H,6-7H2,1H3/t8-/m0/s1
InChIKey BVQKVQJJUFUCMA-QMMMGPOBSA-N
Molecular Weight 220.224 g/mol
SMILES C1(c2c(cccc2)O[C@@](C1)(CC(=O)OC)[H])=O
SPLASH splash10-00dj-2910000000-5f27ce7092c7ae01365d
Source of Spectrum F-50-11776-76
Wiley ID 789698