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1-(6-Ethynyl-1,3,5-cycloheptatrienyl)-2,7-dimethyl-1,4,6-nonatrien-8-yn-3-one

View entire compound with spectra: 1 MS (GC)

1-(6-Ethynyl-1,3,5-cycloheptatrienyl)-2,7-dimethyl-1,4,6-nonatrien-8-yn-3-one
SpectraBase Compound ID FWhlosSmH4Q
InChI InChI=1S/C20H18O/c1-5-16(3)10-9-13-20(21)17(4)14-19-12-8-7-11-18(6-2)15-19/h1-2,7-14H,15H2,3-4H3/b13-9+,16-10+,17-14+
InChIKey KATFBXCDSNTNFF-FPFMHKABSA-N
Mol Weight 274.36 g/mol
Molecular Formula C20H18O
Exact Mass 274.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNRDJvivrb
Name 1-(6-Ethynyl-1,3,5-cycloheptatrienyl)-2,7-dimethyl-1,4,6-nonatrien-8-yn-3-one
Alternate Name(s) (1E,4E,6E)-1-(6-ethynyl-1,3,5-cycloheptatrien-1-yl)-2,7-dimethyl-1,4,6-nonatrien-8-yn-3-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O
InChI InChI=1S/C20H18O/c1-5-16(3)10-9-13-20(21)17(4)14-19-12-8-7-11-18(6-2)15-19/h1-2,7-14H,15H2,3-4H3/b13-9+,16-10+,17-14+
InChIKey KATFBXCDSNTNFF-FPFMHKABSA-N
Molecular Weight 274.363 g/mol
SMILES C(\C(=C\C1=CC=CC=C(C#C)C1)C)(\C=C\C=C\(C#C)C)=O
SPLASH splash10-004i-9000000000-2ab05dd63df2ee1e947d
Source of Spectrum AJ-68-3534-45
Wiley ID 773503