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[(3aR,5aS,6aS,6bR)-5-spiro[3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxole-2,1'-cyclohexane]yl]methanol
SpectraBase Compound ID 4FaAnVoCgAF
InChI InChI=1S/C13H18O4/c14-7-8-6-9-11(12-10(8)15-12)17-13(16-9)4-2-1-3-5-13/h6,9-12,14H,1-5,7H2/t9-,10+,11-,12+/m1/s1
InChIKey NCEAIDDDIABJAZ-KXNHARMFSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EBsDCBefMaV
Name [(3aR,5aS,6aS,6bR)-5-spiro[3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxole-2,1'-cyclohexane]yl]methanol
Comments Less than 3 mono-isotopic peaks
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Formula C13H18O4
InChI InChI=1S/C13H18O4/c14-7-8-6-9-11(12-10(8)15-12)17-13(16-9)4-2-1-3-5-13/h6,9-12,14H,1-5,7H2/t9-,10+,11-,12+/m1/s1
InChIKey NCEAIDDDIABJAZ-KXNHARMFSA-N
Molecular Weight 238.283 g/mol
SMILES OCC=1[C@]2([C@](O2)([C@]2([C@@](C1)(OC1(O2)CCCCC1)[H])[H])[H])[H]
SPLASH splash10-0a4r-9060000000-ac872dc5f21d9ee2e8d5
Source of Spectrum AT-41-2034-7
Synonyms [(3aR,5aS,6aS,6bR)-spiro[3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxole-2,1'-cyclohexane]-5-yl]methanol
Wiley ID 854793