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(2R,3R)-3-Bromo-4-oxo-2-phenyl-chroman-3-carboxylic acid tert-butyl ester
SpectraBase Compound ID JU1y1FXxtkS
InChI InChI=1S/C20H19BrO4/c1-19(2,3)25-18(23)20(21)16(22)14-11-7-8-12-15(14)24-17(20)13-9-5-4-6-10-13/h4-12,17H,1-3H3/t17-,20+/m1/s1
InChIKey KLAFHEFBPLAMEY-XLIONFOSSA-N
Mol Weight 403.27 g/mol
Molecular Formula C20H19BrO4
Exact Mass 402.046672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CcL0nt9HpTg
Name (2R,3R)-3-Bromo-4-oxo-2-phenyl-chroman-3-carboxylic acid tert-butyl ester
Alternate Name(s) tert-Butyl 3-bromo-4-oxo-2-phenylchroman-3-carboxylate
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Formula C20H19BrO4
InChI InChI=1S/C20H19BrO4/c1-19(2,3)25-18(23)20(21)16(22)14-11-7-8-12-15(14)24-17(20)13-9-5-4-6-10-13/h4-12,17H,1-3H3/t17-,20+/m1/s1
InChIKey KLAFHEFBPLAMEY-XLIONFOSSA-N
Molecular Weight 403.272 g/mol
SMILES [C@@]1(C(c2c(cccc2)O[C@@]1(c1ccccc1)[H])=O)(C(OC(C)(C)C)=O)Br
SPLASH splash10-05fr-2390000000-fab6d6d4f29807b48555
Source of Spectrum F-67-5393-7
Wiley ID 1687077