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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7VWwxYBddLV
Name 4-Bromophenacyl cis-(-)-(3S,4R)-4-benzyl-5-oxo-3-tetrahydrofurancarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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)(Cc1ccccc1)[H])(C(OCC(c1ccc(cc1)Br)=O)=O)[H]
SPLASH splash10-0uep-0930000000-210c7acab670378494a2
Source of Spectrum QC-20-319-9
Wiley ID 1687994