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2-ketochromene-3-carboxylic acid isopropyl ester
SpectraBase Compound ID AtDrmOJLnVU
InChI InChI=1S/C13H12O4/c1-8(2)16-12(14)10-7-9-5-3-4-6-11(9)17-13(10)15/h3-8H,1-2H3
InChIKey QPPAJPWUSODCEM-UHFFFAOYSA-N
Mol Weight 232.23 g/mol
Molecular Formula C13H12O4
Exact Mass 232.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UpVoZ5YA4
Name 2-ketochromene-3-carboxylic acid isopropyl ester
Alternate Name(s) 2-Oxo-1-benzopyran-3-carboxylic acid propan-2-yl ester Isopropyl 2-oxo-2H-chromene-3-carboxylate isopropyl 2-oxochromene-3-carboxylate Propan-2-yl 2-oxidanylidenechromene-3-carboxylate Propan-2-yl 2-oxochromene-3-carboxylate
CAS Registry Number 39497-14-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O4
InChI InChI=1S/C13H12O4/c1-8(2)16-12(14)10-7-9-5-3-4-6-11(9)17-13(10)15/h3-8H,1-2H3
InChIKey QPPAJPWUSODCEM-UHFFFAOYSA-N
Molecular Weight 232.235 g/mol
SMILES C=1(C(Oc2c(C1)cccc2)=O)C(OC(C)C)=O
SPLASH splash10-00dj-2900000000-f61e62a8b5f078f7060f
Source of Spectrum KC-61-7984-5
Wiley ID 1630150