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4-bromobenzoic acid (4-keto-2-methyl-chroman-5-yl) ester
SpectraBase Compound ID 3LoR0BG6PWi
InChI InChI=1S/C17H13BrO4/c1-10-9-13(19)16-14(21-10)3-2-4-15(16)22-17(20)11-5-7-12(18)8-6-11/h2-8,10H,9H2,1H3
InChIKey OLVXGCDSVAJCFX-UHFFFAOYSA-N
Mol Weight 361.19 g/mol
Molecular Formula C17H13BrO4
Exact Mass 359.999722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5FgLj0St5UN
Name 4-bromobenzoic acid (4-keto-2-methyl-chroman-5-yl) ester
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H13BrO4
InChI InChI=1S/C17H13BrO4/c1-10-9-13(19)16-14(21-10)3-2-4-15(16)22-17(20)11-5-7-12(18)8-6-11/h2-8,10H,9H2,1H3
InChIKey OLVXGCDSVAJCFX-UHFFFAOYSA-N
Literature Reference Author J.DAI,K.KROHN,U.FLOERKE,S.DRAEGER,B.SCHULZ,A.KISS-SZIKSZAI,S .ANTUS,T.KURTAN,T.V.
Literature Reference Citation EUR.J.ORG.CHEM.,3498(2006)
Molecular Weight 361.192 g/mol
Sample ID 32482
Solvent CDCl3