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4-Bromophenacyl cis-(-)-(3S,4R)-4-benzyl-5-oxo-3-tetrahydrofurancarboxylate

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4-Bromophenacyl cis-(-)-(3S,4R)-4-benzyl-5-oxo-3-tetrahydrofurancarboxylate
SpectraBase Compound ID HuVXBEVM2C5
InChI InChI=1S/C20H17BrO5/c21-15-8-6-14(7-9-15)18(22)12-26-20(24)17-11-25-19(23)16(17)10-13-4-2-1-3-5-13/h1-9,16-17H,10-12H2/t16-,17-/m1/s1
InChIKey NHGCVRVOWJNJRY-IAGOWNOFSA-N
Mol Weight 417.26 g/mol
Molecular Formula C20H17BrO5
Exact Mass 416.025937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5yrggCTecnQ
Name 4-Bromophenacyl cis-(-)-(3S,4R)-4-benzyl-5-oxo-3-tetrahydrofurancarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 416.025936642 u
Formula C20H17BrO5
InChI InChI=1S/C20H17BrO5/c21-15-8-6-14(7-9-15)18(22)12-26-20(24)17-11-25-19(23)16(17)10-13-4-2-1-3-5-13/h1-9,16-17H,10-12H2/t16-,17-/m1/s1
InChIKey NHGCVRVOWJNJRY-IAGOWNOFSA-N
Molecular Weight 417.255 g/mol
SMILES [C@]1([C@](C(=O)OC1)(CC=1C=CC=CC1)[H])(C(OCC(C=1C=CC(=CC1)Br)=O)=O)[H]