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Laurenmariallene
SpectraBase Compound ID 5CV5hKKADSw
InChI InChI=1S/C15H15Br3O2/c1-2-10(17)5-3-7-12-14(18)15-13(20-12)9-11(19-15)6-4-8-16/h3,5-8,11,13,15H,2,9H2,1H3/b7-3-,10-5-/t4?,11-,13-,15+/m1/s1
InChIKey XESWLEVPFYXKLI-UIRRHHTJSA-N
Mol Weight 467.0 g/mol
Molecular Formula C15H15Br3O2
Exact Mass 463.862219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ArMYhw77k3M
Name Laurenmariallene
Alternate Name(s) (2S,3aR,6aS)-6-bromanyl-5-[(1Z,3Z)-4-bromanylhexa-1,3-dienyl]-2-(3-bromanylpropa-1,2-dienyl)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan
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Formula C15H15Br3O2
InChI InChI=1S/C15H15Br3O2/c1-2-10(17)5-3-7-12-14(18)15-13(20-12)9-11(19-15)6-4-8-16/h3,5-8,11,13,15H,2,9H2,1H3/b7-3-,10-5-/t4?,11-,13-,15+/m1/s1
InChIKey XESWLEVPFYXKLI-UIRRHHTJSA-N
Molecular Weight 466.995 g/mol
SMILES C=1([C@@]2([C@](C[C@](O2)(C(=[C@]=C(Br)[H])[H])[H])([H])OC1\C=C/C=C/(Br)CC)[H])Br
SPLASH splash10-0a4s-0902000000-0f0b6cfe0a8fec9b094a
Source of Spectrum G4-70-1904-4
Wiley ID 1694851