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(+)-(1R,2S,4R,7S,8S,11R)-3,3,11-Trimethyltricyclo[6.3.0.0(2,4)]undecan-7-ylmethanol methanesulfonate
SpectraBase Compound ID CXODQPCRNE
InChI InChI=1S/C16H28O3S/c1-10-5-7-12-11(9-19-20(4,17)18)6-8-13-15(14(10)12)16(13,2)3/h10-15H,5-9H2,1-4H3/t10-,11-,12-,13-,14-,15-/m1/s1
InChIKey PENQBQKMUVTZMC-BXLXJSPXSA-N
Mol Weight 300.46 g/mol
Molecular Formula C16H28O3S
Exact Mass 300.175916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8R9UXjnbMLo
Name (+)-(1R,2S,4R,7S,8S,11R)-3,3,11-Trimethyltricyclo[6.3.0.0(2,4)]undecan-7-ylmethanol methanesulfonate
Comments Less than 3 mono-isotopic peaks
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Formula C16H28O3S
InChI InChI=1S/C16H28O3S/c1-10-5-7-12-11(9-19-20(4,17)18)6-8-13-15(14(10)12)16(13,2)3/h10-15H,5-9H2,1-4H3/t10-,11-,12-,13-,14-,15-/m1/s1
InChIKey PENQBQKMUVTZMC-BXLXJSPXSA-N
Molecular Weight 300.457 g/mol
SMILES [C@@]12(C(C)(C)[C@@]2(CC[C@@]([C@@]2([C@]1([C@@](CC2)(C)[H])[H])[H])(COS(=O)(=O)C)[H])[H])[H]
SPLASH splash10-001i-9000000000-561f749a0307c42e7982
Source of Spectrum F-52-4267-29
Synonyms [(1aR,4S,4aS,7R,7aR,7bS)-1,1,7-trimethyldecahydro-1H-cyclopropa[e]azulen-4-yl]methyl methanesulfonate
Wiley ID 796073