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(2S,3E,5S)-3-bromo-5-[(2-methoxyethoxy)methoxy]-2-phenyl-3-hexen-2-ol
SpectraBase Compound ID CnK4bEyD8tx
InChI InChI=1S/C16H23BrO4/c1-13(21-12-20-10-9-19-3)11-15(17)16(2,18)14-7-5-4-6-8-14/h4-8,11,13,18H,9-10,12H2,1-3H3/b15-11+/t13-,16-/m0/s1
InChIKey BCAHXALLLZOQIE-IMUHQLSFSA-N
Mol Weight 359.26 g/mol
Molecular Formula C16H23BrO4
Exact Mass 358.077972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jx3iuxQC6ZN
Name (2S,3E,5S)-3-bromo-5-[(2-methoxyethoxy)methoxy]-2-phenyl-3-hexen-2-ol
CAS Registry Number 114091-71-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23BrO4
InChI InChI=1S/C16H23BrO4/c1-13(21-12-20-10-9-19-3)11-15(17)16(2,18)14-7-5-4-6-8-14/h4-8,11,13,18H,9-10,12H2,1-3H3/b15-11+/t13-,16-/m0/s1
InChIKey BCAHXALLLZOQIE-IMUHQLSFSA-N
Molecular Weight 359.260 g/mol
SMILES O[C@](\C(=C/[C@@](OCOCCOC)(C)[H])Br)(c1ccccc1)C
SPLASH splash10-0a4i-9200000000-62650a6b8c437a87f49d
Source of Spectrum K-124-1388-15
Wiley ID 1346839