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4-Benzylidene-2-(tert-butyl)-6-methylcyclohexa-2,5-dien-1-one
SpectraBase Compound ID BnXQqhfrVIF
InChI InChI=1S/C18H20O/c1-13-10-15(11-14-8-6-5-7-9-14)12-16(17(13)19)18(2,3)4/h5-12H,1-4H3
InChIKey HGIHLTOWAUKGJZ-UHFFFAOYSA-N
Mol Weight 252.36 g/mol
Molecular Formula C18H20O
Exact Mass 252.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DslXwFvwL6y
Name 4-Benzylidene-2-(tert-butyl)-6-methylcyclohexa-2,5-dien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O
InChI InChI=1S/C18H20O/c1-13-10-15(11-14-8-6-5-7-9-14)12-16(17(13)19)18(2,3)4/h5-12H,1-4H3
InChIKey HGIHLTOWAUKGJZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201303928
Molecular Weight 252.357 g/mol
SMILES c1cc(ccc1)C=C1C=C(C(C(=C1)C)=O)C(C)(C)C
SPLASH splash10-0zg0-2190000000-e217973fbce8079dc758
Source of Spectrum ACI-52-SMS5-1r
Wiley ID 1781572