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(+/-)-[(1aR,2S,5R,5aS)-5-Methylperhydrooxireno[2,3-d][1,2]dioxin-2yl]methyl 2-(3-bromoadamantyl)acetate
SpectraBase Compound ID K0qLglx4GLc
InChI InChI=1S/C18H25BrO5/c1-10-15-16(22-15)13(24-23-10)8-21-14(20)7-17-3-11-2-12(4-17)6-18(19,5-11)9-17/h10-13,15-16H,2-9H2,1H3/t10-,11-,12+,13+,15-,16+,17-,18-/m1/s1
InChIKey FMSPEMZCJBAPCE-LPJXJLHJSA-N
Mol Weight 401.3 g/mol
Molecular Formula C18H25BrO5
Exact Mass 400.088537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gOdTzNr7Ej
Name (+/-)-[(1aR,2S,5R,5aS)-5-Methylperhydrooxireno[2,3-d][1,2]dioxin-2yl]methyl 2-(3-bromoadamantyl)acetate
Alternate Name(s) ((1R,2S,5R,6S)-5-methyl-3,4,7-trioxabicyclo[4.1.0]heptan-2-yl)methyl 2-((1s,3R,5R,7S)-3-bromoadamantan-1-yl)acetate [(1S,2R,5S,6R)-2-methyl-3,4,7-trioxabicyclo[4.1.0]heptan-5-yl]methyl 2-(3-bromo-1-adamantyl)acetate [(1S,2R,5S,6R)-2-methyl-3,4,7-trioxabicyclo[4.1.0]heptan-5-yl]methyl 2-(3-bromanyl-1-adamantyl)ethanoate
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Formula C18H25BrO5
InChI InChI=1S/C18H25BrO5/c1-10-15-16(22-15)13(24-23-10)8-21-14(20)7-17-3-11-2-12(4-17)6-18(19,5-11)9-17/h10-13,15-16H,2-9H2,1H3/t10-,11-,12+,13+,15-,16+,17-,18-/m1/s1
InChIKey FMSPEMZCJBAPCE-LPJXJLHJSA-N
Molecular Weight 401.297 g/mol
SMILES [C@@]12(O[C@@]2([C@@](C)(OO[C@]1(COC(C[C@]12C[C@@]3(Br)C[C@@](C2)(C[C@@](C1)(C3)[H])[H])=O)[H])[H])[H])[H]
SPLASH splash10-00dm-4906000000-d967fa03dd3efd5913a3
Source of Spectrum J-15-41-2n
Wiley ID 1733869