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(4R,4aS,5S,8aR)-5,8a-dimethyl-4,4a,6,7,8,9-hexahydrobenzo[f]benzofuran-4,5-diol
SpectraBase Compound ID BAyoDVEWJNO
InChI InChI=1S/C14H20O3/c1-13-5-3-6-14(2,16)12(13)11(15)9-4-7-17-10(9)8-13/h4,7,11-12,15-16H,3,5-6,8H2,1-2H3/t11-,12+,13+,14-/m0/s1
InChIKey KTMCVLDYYZNSFI-DGAVXFQQSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EvToJGuo2l5
Name (4R,4aS,5S,8aR)-5,8a-dimethyl-4,4a,6,7,8,9-hexahydrobenzo[f]benzofuran-4,5-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-13-5-3-6-14(2,16)12(13)11(15)9-4-7-17-10(9)8-13/h4,7,11-12,15-16H,3,5-6,8H2,1-2H3/t11-,12+,13+,14-/m0/s1
InChIKey KTMCVLDYYZNSFI-DGAVXFQQSA-N
Molecular Weight 236.311 g/mol
SMILES O[C@]1(CCC[C@@]2(Cc3c([C@@]([C@@]12[H])(O)[H])cco3)C)C
SPLASH splash10-0udr-5970000000-3cd62fd0039799d9c13b
Source of Spectrum KC-1993-246-36
Synonyms (4R,4aS,5S,8aR)-5,8a-dimethyl-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-4,5-diol
Wiley ID 778867