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(1S,3R,4S,6S,8S,9S,10R,12S)-3,12-bis(bromanyl)-6-(3-bromanylpropa-1,2-dienyl)-9-chloranyl-8-methyl-7,13-dioxabicyclo[8.2.1]tridecan-4-ol

View entire compound with spectra: 1 MS (GC)

(1S,3R,4S,6S,8S,9S,10R,12S)-3,12-bis(bromanyl)-6-(3-bromanylpropa-1,2-dienyl)-9-chloranyl-8-methyl-7,13-dioxabicyclo[8.2.1]tridecan-4-ol
SpectraBase Compound ID JWVLIuy4mu
InChI InChI=1S/C15H20Br3ClO3/c1-8-15(19)14-7-11(18)13(22-14)6-10(17)12(20)5-9(21-8)3-2-4-16/h3-4,8-15,20H,5-7H2,1H3/t2?,8-,9+,10+,11-,12-,13-,14+,15-/m0/s1
InChIKey PNVXEWZNEKYTMJ-BHIJAYKMSA-N
Mol Weight 523.49 g/mol
Molecular Formula C15H20Br3ClO3
Exact Mass 519.865111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKlTyakV7yi
Name (1S,3R,4S,6S,8S,9S,10R,12S)-3,12-bis(bromanyl)-6-(3-bromanylpropa-1,2-dienyl)-9-chloranyl-8-methyl-7,13-dioxabicyclo[8.2.1]tridecan-4-ol
Alternate Name(s) (1S,3R,4S,6S,8S,9S,10R,12S)-3,12-dibromo-6-(3-bromopropa-1,2-dienyl)-9-chloro-8-methyl-7,13-dioxabicyclo[8.2.1]tridecan-4-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20Br3ClO3
InChI InChI=1S/C15H20Br3ClO3/c1-8-15(19)14-7-11(18)13(22-14)6-10(17)12(20)5-9(21-8)3-2-4-16/h3-4,8-15,20H,5-7H2,1H3/t2?,8-,9+,10+,11-,12-,13-,14+,15-/m0/s1
InChIKey PNVXEWZNEKYTMJ-BHIJAYKMSA-N
Molecular Weight 523.487 g/mol
SMILES O[C@@]1([C@@](C[C@@]2(O[C@@]([C@]([C@@](O[C@@](C1)(C=C=CBr)[H])(C)[H])(Cl)[H])(C[C@@]2(Br)[H])[H])[H])(Br)[H])[H]
SPLASH splash10-0006-9422400000-7682eab5415e8a497df0
Source of Spectrum H-83-345-5
Wiley ID 846971