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5-HYDROXY-7-OXABICYClO-[4.1.0(1,6)]-HEPT-3-ENE-2-ONE
SpectraBase Compound ID 5ghaYg0Sjcv
InChI InChI=1S/C6H6O3/c7-3-1-2-4(8)6-5(3)9-6/h1-3,5-7H/t3-,5+,6-/m0/s1
InChIKey HHEPZGQHWOPVMS-LFRDXLMFSA-N
Mol Weight 126.11 g/mol
Molecular Formula C6H6O3
Exact Mass 126.031694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3LqB9dr9hG
Name (+-)-(1.alpha.,5.alpha.,6.alpha.)-5-Hydroxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C6H6O3
InChI InChI=1S/C6H6O3/c7-3-1-2-4(8)6-5(3)9-6/h1-3,5-7H/t3-,5+,6-/m0/s1
InChIKey HHEPZGQHWOPVMS-LFRDXLMFSA-N
Molecular Weight 126.111 g/mol
SMILES O[C@@]1([C@@]2([C@@](O2)(C(C=C1)=O)[H])[H])[H]
SPLASH splash10-0002-9100000000-49aff228b4b0551b6338
Source of Spectrum B-44-61-0
Synonyms (+,-)-(1a,5a,6a)-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-2-one (1R,5S,6R)-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
Wiley ID 1129732