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trans-(E)-3-(Buta-1,3-dienyl)-4-phenylcyclohexanone
SpectraBase Compound ID 7t3UHUW9u5w
InChI InChI=1S/C16H18O/c1-2-3-7-14-12-15(17)10-11-16(14)13-8-5-4-6-9-13/h2-9,14,16H,1,10-12H2/b7-3+/t14-,16+/m0/s1
InChIKey YUUHSULVUYWOSG-WYBPUXDHSA-N
Mol Weight 226.32 g/mol
Molecular Formula C16H18O
Exact Mass 226.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1WRNXmGY7Uu
Name trans-(E)-3-(Buta-1,3-dienyl)-4-phenylcyclohexanone
Alternate Name(s) (3R,4S)-3-((E)-buta-1,3-dien-1-yl)-4-phenylcyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O
InChI InChI=1S/C16H18O/c1-2-3-7-14-12-15(17)10-11-16(14)13-8-5-4-6-9-13/h2-9,14,16H,1,10-12H2/b7-3+/t14-,16+/m0/s1
InChIKey YUUHSULVUYWOSG-WYBPUXDHSA-N
Literature Reference DOI 10.1002/hc.20720
Molecular Weight 226.319 g/mol
SMILES C1C(C[C@@]([C@](C1)(c1ccccc1)[H])(\C=C\C=C)[H])=O
SPLASH splash10-0udi-1910000000-fbf06dbe19feb754e3fd
Source of Spectrum HAC-22-552-6b
Wiley ID 1776198