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2H-Pentaleno[1,6-bc]furan-2-one, 3-bromooctahydro-4-hydroxy-, (2a.alpha.,3.alpha.,4.beta.,4a.alpha.,6a.alpha.,6b.alpha.)-(.+-.)-
SpectraBase Compound ID EGHFqdkEiZ1
InChI InChI=1S/C9H11BrO3/c10-7-6-5-3(8(7)11)1-2-4(5)13-9(6)12/h3-8,11H,1-2H2/t3-,4+,5-,6+,7-,8-/m1/s1
InChIKey LYMJUMWXIZGSJT-PSGKDBJXSA-N
Mol Weight 247.09 g/mol
Molecular Formula C9H11BrO3
Exact Mass 245.989157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J8032eZ5beP
Name 2H-Pentaleno[1,6-bc]furan-2-one, 3-bromooctahydro-4-hydroxy-, (2a.alpha.,3.alpha.,4.beta.,4a.alpha.,6a.alpha.,6b.alpha.)-(.+-.)-
CAS Registry Number 127268-75-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11BrO3
InChI InChI=1S/C9H11BrO3/c10-7-6-5-3(8(7)11)1-2-4(5)13-9(6)12/h3-8,11H,1-2H2/t3-,4+,5-,6+,7-,8-/m1/s1
InChIKey LYMJUMWXIZGSJT-PSGKDBJXSA-N
Molecular Weight 247.088 g/mol
SMILES O[C@]1([C@@]([C@]2(C(O[C@@]3([C@]2([C@]1(CC3)[H])[H])[H])=O)[H])(Br)[H])[H]
SPLASH splash10-0002-7960000000-73e6123389213b464af6
Source of Spectrum F-45-5663-27
Synonyms (2aR,3R,4R,4aR,6aS,6bS)-3-bromo-4-hydroxyoctahydro-2H-pentaleno[1,6-bc]furan-2-one 3.beta.-bromo-2.alpha.-hydroxybicyclo[3.3.0]octane-4.alpha.,6.alpha.-carbolactone
Wiley ID 1248386