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Octahydromonodebromodactylyne
SpectraBase Compound ID y3uwwwO9rG
InChI InChI=1S/C15H28BrClO/c1-3-5-7-9-14-12(16)11-13(17)15(18-14)10-8-6-4-2/h12-15H,3-11H2,1-2H3/t12-,13+,14-,15+/m1/s1
InChIKey BRWXDTRNLNYIJG-BARDWOONSA-N
Mol Weight 339.75 g/mol
Molecular Formula C15H28BrClO
Exact Mass 338.101206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JDWFJIRwhj
Name Octahydromonodebromodactylyne
Alternate Name(s) (2R,3R,5S,6S)-3-bromo-5-chloro-2,6-dipentyltetrahydro-2H-pyran
CAS Registry Number 55229-33-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H28BrClO
InChI InChI=1S/C15H28BrClO/c1-3-5-7-9-14-12(16)11-13(17)15(18-14)10-8-6-4-2/h12-15H,3-11H2,1-2H3/t12-,13+,14-,15+/m1/s1
InChIKey BRWXDTRNLNYIJG-BARDWOONSA-N
Molecular Weight 339.745 g/mol
SMILES [C@]1(O[C@]([C@](C[C@]1(Br)[H])(Cl)[H])(CCCCC)[H])(CCCCC)[H]
SPLASH splash10-06ec-9310000000-25811a20160fda86b10d
Source of Spectrum J-41-3481-0
Wiley ID 1333474