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Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetramethanol, (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.beta.,6.alpha.)-
SpectraBase Compound ID 14fFMf5WwPJ
InChI InChI=1S/C12H20O4/c13-3-9-7-1-2-8(11(9)5-15)12(6-16)10(7)4-14/h1-2,7-16H,3-6H2/t7-,8+,9-,10+,11-,12+
InChIKey MOAKAWNYCNNZJR-CJXDBHJTSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AiLgpAmApsN
Name Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetramethanol, (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.beta.,6.alpha.)-
CAS Registry Number 120664-28-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c13-3-9-7-1-2-8(11(9)5-15)12(6-16)10(7)4-14/h1-2,7-16H,3-6H2/t7-,8+,9-,10+,11-,12+
InChIKey MOAKAWNYCNNZJR-CJXDBHJTSA-N
Molecular Weight 228.288 g/mol
SMILES OC[C@@]1([C@]2([C@@]([C@]([C@]([C@]1(CO)[H])([H])C=C2)(CO)[H])(CO)[H])[H])[H]
SPLASH splash10-002f-9300000000-8645cba9f8f39719eb53
Source of Spectrum H-71-1259-29
Synonyms (1R,2R,3R,4S,5S,6S)-bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetramethanol [(2R,3R,7S,8S)-3,7,8-tris(hydroxymethyl)bicyclo[2.2.2]oct-5-en-2-yl]methanol
Wiley ID 1229534