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Obtusallene VI
SpectraBase Compound ID A4XHZPcvgHg
InChI InChI=1S/C15H19Br2ClO3/c1-9-14(18)12-4-5-15(20-12)8-11(17)13(21-15)7-10(19-9)3-2-6-16/h3,6,9-14H,4-5,7-8H2,1H3/t2?,9-,10+,11+,12+,13-,14-,15-/m0/s1
InChIKey NDEGXLOZTNFBJT-XTGOFRAJSA-N
Mol Weight 442.58 g/mol
Molecular Formula C15H19Br2ClO3
Exact Mass 439.938948 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID aKL8iMlnM
Name Obtusallene VI
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19Br2ClO3
InChI InChI=1S/C15H19Br2ClO3/c1-9-14(18)12-4-5-15(20-12)8-11(17)13(21-15)7-10(19-9)3-2-6-16/h3,6,9-14H,4-5,7-8H2,1H3/t2?,9-,10+,11+,12+,13-,14-,15-/m0/s1
InChIKey NDEGXLOZTNFBJT-XTGOFRAJSA-N
Molecular Weight 442.575 g/mol
SMILES [C@]123O[C@](C[C@](C=C=CBr)([H])O[C@]([C@@]([C@@](O3)([H])CC1)(Cl)[H])(C)[H])([H])[C@@](C2)(Br)[H]
SPLASH splash10-00fu-5509000000-b00abecbc32253067a85
Source of Spectrum H-83-345-4
Synonyms (1S,3R,4S,6S,8S,9S,10R)-3-bromo-6-(3-bromo-1,2-propadienyl)-9-chloro-8-methyl-7,13,14-trioxatricyclo[8.2.1.1(1,4)]tetradecane 3-Bromo-6-(3'-bromopropa-1',2'-dienyl)-9-chloro-6-methyl-7,13,14-trioxatricyclo[8.2.1.1.1(1,4)]tetradecane
Wiley ID 846972