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(3S,4R)-4-bromotetradeca-6,9-dien-12-yn-3-ol
SpectraBase Compound ID Ljq4qmaFyei
InChI InChI=1S/C14H21BrO/c1-3-5-6-7-8-9-10-11-12-13(15)14(16)4-2/h7-8,10-11,13-14,16H,4,6,9,12H2,1-2H3/b8-7-,11-10-/t13-,14+/m1/s1
InChIKey DHYIETCNPKQFMD-FYMBJOJCSA-N
Mol Weight 285.22 g/mol
Molecular Formula C14H21BrO
Exact Mass 284.077578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0dtWBAouWm
Name (3S,4R)-4-bromotetradeca-6,9-dien-12-yn-3-ol
Appearance Colorless oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.077578295 u
Formula C14H21BrO
InChI InChI=1S/C14H21BrO/c1-3-5-6-7-8-9-10-11-12-13(15)14(16)4-2/h7-8,10-11,13-14,16H,4,6,9,12H2,1-2H3/b8-7-,11-10-/t13-,14+/m1/s1
InChIKey DHYIETCNPKQFMD-FYMBJOJCSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201500437
Molecular Weight 285.225 g/mol
Optical Rotation [a]D20 = +19.2 (c = 0.10, CHCl3)
Quality 436
Reported Formula C14H21OBr
SMILES O[C@]([C@@](C\C=C/C\C=C/CC#CC)(Br)[H])(CC)[H]
SPLASH splash10-0a6u-9700000000-da6eeea0e5e0c7aa397d
Source of Spectrum QE-21-SM16-S10 (DOI: 10.1002/chem.201500437)
Wiley ID 1906354