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3-Ethyl-1-phenyl-3-penten-1-yne
SpectraBase Compound ID AOj2Xk5h7Mk
InChI InChI=1S/C13H14/c1-3-12(4-2)10-11-13-8-6-5-7-9-13/h3,5-9H,4H2,1-2H3/b12-3+
InChIKey SOKLXZOMLXRDPC-KGVSQERTSA-N
Mol Weight 170.25 g/mol
Molecular Formula C13H14
Exact Mass 170.10955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vsOT9z34wU
Name 3-Ethyl-1-phenyl-3-penten-1-yne
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14
InChI InChI=1S/C13H14/c1-3-12(4-2)10-11-13-8-6-5-7-9-13/h3,5-9H,4H2,1-2H3/b12-3+
InChIKey SOKLXZOMLXRDPC-KGVSQERTSA-N
Literature Reference DOI 10.1002/cber.19821151104
Molecular Weight 170.255 g/mol
SMILES c1cc(ccc1)C#C\C(=C\C)CC
SPLASH splash10-00di-0900000000-3a720791b97a5fc0b957
Source of Spectrum K-115-3509-18g
Synonyms (E)-(3-ethylpent-3-en-1-yn-1-yl)benzene
Wiley ID 1791902