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9-(4-Bromophenyl)-6-hydroxy-5-nitro-3-oxabicyclo[3.3.1]nonan-2-one
SpectraBase Compound ID 8qZJyGEaZW5
InChI InChI=1S/C14H14BrNO5/c15-9-3-1-8(2-4-9)12-10-5-6-11(17)14(12,16(19)20)7-21-13(10)18/h1-4,10-12,17H,5-7H2/t10-,11-,12?,14-/m1/s1
InChIKey ZSIYLOPVFBBWHA-XHMIPKSJSA-N
Mol Weight 356.17 g/mol
Molecular Formula C14H14BrNO5
Exact Mass 355.005536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22N4gDjJpga
Name 9-(4-Bromophenyl)-6-hydroxy-5-nitro-3-oxabicyclo[3.3.1]nonan-2-one
Alternate Name(s) (1R,5R,6R)-9-(4-bromophenyl)-6-hydroxy-5-nitro-3-oxabicyclo[3.3.1]nonan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14BrNO5
InChI InChI=1S/C14H14BrNO5/c15-9-3-1-8(2-4-9)12-10-5-6-11(17)14(12,16(19)20)7-21-13(10)18/h1-4,10-12,17H,5-7H2/t10-,11-,12?,14-/m1/s1
InChIKey ZSIYLOPVFBBWHA-XHMIPKSJSA-N
Molecular Weight 356.172 g/mol
SMILES O[C@]1([C@@]2(N(=O)=O)C([C@@](CC1)(C(OC2)=O)[H])c1ccc(cc1)Br)[H]
SPLASH splash10-0a4i-9411000000-218084e6a7fb155c3cd7
Source of Spectrum U1-2013-2476-4d
Wiley ID 1735964