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(1S,5R,6S)-5-hydroxy-3-iodo-7-oxabicyclo[4.1.0]hept-3-en-2-one
SpectraBase Compound ID 59MrQI90XlL
InChI InChI=1S/C6H5IO3/c7-2-1-3(8)5-6(10-5)4(2)9/h1,3,5-6,8H/t3-,5+,6-/m1/s1
InChIKey WEQAFIIHSHSMSO-PQLUHFTBSA-N
Mol Weight 252.01 g/mol
Molecular Formula C6H5IO3
Exact Mass 251.928339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAkLwKNAXx
Name (1S,5R,6S)-5-hydroxy-3-iodo-7-oxabicyclo[4.1.0]hept-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5IO3
InChI InChI=1S/C6H5IO3/c7-2-1-3(8)5-6(10-5)4(2)9/h1,3,5-6,8H/t3-,5+,6-/m1/s1
InChIKey WEQAFIIHSHSMSO-PQLUHFTBSA-N
Literature Reference DOI 10.1021/ol9016657
Molecular Weight 252.007 g/mol
SMILES O[C@@]1(C=C(I)C(=O)[C@@]2([C@]1(O2)[H])[H])[H]
SPLASH splash10-0umi-9550000000-344d13e4e9adb5b64988
Source of Spectrum A1-11-4290/SMS10-25
Synonyms (1S,2R,6S)-4-iodanyl-2-oxidanyl-7-oxabicyclo[4.1.0]hept-3-en-5-one
Wiley ID 1757403