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(2S,3R,4aR,6S,7S,8aR)-3-bromanyl-7-chloranyl-2-ethyl-6-[(Z)-pent-2-en-4-ynyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran

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(2S,3R,4aR,6S,7S,8aR)-3-bromanyl-7-chloranyl-2-ethyl-6-[(Z)-pent-2-en-4-ynyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
SpectraBase Compound ID 9MAsR6OI3N9
InChI InChI=1S/C15H20BrClO2/c1-3-5-6-7-13-11(17)9-15-14(19-13)8-10(16)12(4-2)18-15/h1,5-6,10-15H,4,7-9H2,2H3/b6-5-/t10-,11+,12+,13+,14-,15-/m1/s1
InChIKey NVMRARRBFWEZAC-PBKUKDDRSA-N
Mol Weight 347.68 g/mol
Molecular Formula C15H20BrClO2
Exact Mass 346.033521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KSL0iYTmf9
Name (2S,3R,4aR,6S,7S,8aR)-3-bromanyl-7-chloranyl-2-ethyl-6-[(Z)-pent-2-en-4-ynyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
CAS Registry Number 79433-83-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20BrClO2
InChI InChI=1S/C15H20BrClO2/c1-3-5-6-7-13-11(17)9-15-14(19-13)8-10(16)12(4-2)18-15/h1,5-6,10-15H,4,7-9H2,2H3/b6-5-/t10-,11+,12+,13+,14-,15-/m1/s1
InChIKey NVMRARRBFWEZAC-PBKUKDDRSA-N
Molecular Weight 347.680 g/mol
SMILES [C@]12(O[C@]([C@](C[C@]2(O[C@]([C@@](C1)(Br)[H])(CC)[H])[H])(Cl)[H])(C\C=C/C#C)[H])[H]
SPLASH splash10-00lr-6920000000-754e6998106911b3c7f8
Source of Spectrum J-46-5196-0
Synonyms (2S,3R,4aR,6S,7S,8aR)-3-bromo-7-chloro-2-ethyl-6-[(Z)-pent-2-en-4-ynyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
Wiley ID 1338965