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(+)-Isopropyl 5-bromo-2-hydroxy-1-oxo-2,3-dihydro-1H-indene-2-carboxylate
SpectraBase Compound ID 1bxtyGcMfRJ
InChI InChI=1S/C13H13BrO4/c1-7(2)18-12(16)13(17)6-8-5-9(14)3-4-10(8)11(13)15/h3-5,7,17H,6H2,1-2H3
InChIKey XDLMYGBWYLPWPJ-UHFFFAOYSA-N
Mol Weight 313.15 g/mol
Molecular Formula C13H13BrO4
Exact Mass 311.999722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3YBtWPtZ7u
Name (+)-Isopropyl 5-bromo-2-hydroxy-1-oxo-2,3-dihydro-1H-indene-2-carboxylate
Alternate Name(s) 6-Bromo-2-hydroxy-3-oxo-1H-indene-2-carboxylic acid propan-2-yl ester Propan-2-yl 6-bromo-2-hydroxy-3-oxo-1H-indene-2-carboxylate isopropyl 5-bromo-2-hydroxy-1-oxo-indane-2-carboxylate Propan-2-yl 6-bromanyl-2-oxidanyl-3-oxidanylidene-1H-indene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13BrO4
InChI InChI=1S/C13H13BrO4/c1-7(2)18-12(16)13(17)6-8-5-9(14)3-4-10(8)11(13)15/h3-5,7,17H,6H2,1-2H3
InChIKey XDLMYGBWYLPWPJ-UHFFFAOYSA-N
Molecular Weight 313.147 g/mol
SMILES OC1(C(c2ccc(cc2C1)Br)=O)C(OC(C)C)=O
SPLASH splash10-0096-7090000000-695f4850c09421d5e630
Source of Spectrum QC-22-798-3e
Wiley ID 1688561