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(Z,2S)-[4-Bromo-4-(cyclohex-1-enyl)]but-3-en-2-yl Acrylate
SpectraBase Compound ID HNPtyekEqBB
InChI InChI=1S/C13H17BrO2/c1-3-13(15)16-10(2)9-12(14)11-7-5-4-6-8-11/h3,7,9-10H,1,4-6,8H2,2H3/b12-9-/t10-/m0/s1
InChIKey JYLYXBQHMICSEW-JMZICWNOSA-N
Mol Weight 285.18 g/mol
Molecular Formula C13H17BrO2
Exact Mass 284.041193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KpQY0Q8H3hv
Name (Z,2S)-[4-Bromo-4-(cyclohex-1-enyl)]but-3-en-2-yl Acrylate
Appearance Light-yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.041192785 u
Formula C13H17BrO2
InChI InChI=1S/C13H17BrO2/c1-3-13(15)16-10(2)9-12(14)11-7-5-4-6-8-11/h3,7,9-10H,1,4-6,8H2,2H3/b12-9-/t10-/m0/s1
InChIKey JYLYXBQHMICSEW-JMZICWNOSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.403
Optical Rotation [a]D20 = -9.75 (c = 0.120, CHCl3)
Quality 199
SMILES C=1CCCCC1\C(=C\[C@@](OC(C=C)=O)(C)[H])Br
SPLASH splash10-0a4i-9300000000-ffe2d2337c8d75a8c8e8
Source of Spectrum ARK-2003-36-24 (DOI: 10.3998/ark.5550190.0004.403)
Thin-Layer Chromatography 0.43 (isooctane/EtOAc, 9:1)
Wiley ID 1899918