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(Z)-1-[(2R,3R,5S,6R)-5-bromanyl-6-ethyl-3-oxidanyl-oxan-2-yl]oct-5-en-7-yn-2-one
SpectraBase Compound ID 3wrLQusHJlr
InChI InChI=1S/C15H21BrO3/c1-3-5-6-7-8-11(17)9-15-13(18)10-12(16)14(4-2)19-15/h1,5-6,12-15,18H,4,7-10H2,2H3/b6-5-/t12-,13+,14+,15+/m0/s1
InChIKey UGJHRFRUTHOGOT-XITYAHQXSA-N
Mol Weight 329.23 g/mol
Molecular Formula C15H21BrO3
Exact Mass 328.067408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DiCSbUGwWY
Name (Z)-1-[(2R,3R,5S,6R)-5-bromanyl-6-ethyl-3-oxidanyl-oxan-2-yl]oct-5-en-7-yn-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21BrO3
InChI InChI=1S/C15H21BrO3/c1-3-5-6-7-8-11(17)9-15-13(18)10-12(16)14(4-2)19-15/h1,5-6,12-15,18H,4,7-10H2,2H3/b6-5-/t12-,13+,14+,15+/m0/s1
InChIKey UGJHRFRUTHOGOT-XITYAHQXSA-N
Molecular Weight 329.234 g/mol
SMILES O[C@]1([C@](O[C@@]([C@](C1)(Br)[H])(CC)[H])(CC(=O)CC\C=C/C#C)[H])[H]
SPLASH splash10-05ru-9300000000-6d7c9f62b58fee54a454
Source of Spectrum F-53-4275-1
Synonyms (Z)-1-[(2R,3R,5S,6R)-5-bromo-6-ethyl-3-hydroxy-2-oxanyl]-2-oct-5-en-7-ynone (Z)-1-[(2R,3R,5S,6R)-5-bromo-6-ethyl-3-hydroxy-tetrahydropyran-2-yl]oct-5-en-7-yn-2-one (Z)-1-[(2R,3R,5S,6R)-5-bromo-6-ethyl-3-hydroxyoxan-2-yl]oct-5-en-7-yn-2-one
Wiley ID 801256