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4,5-Dipropyl-7-n-butylbicyclo[2,2,2]oct-5-en-2,3-dione

View entire compound with spectra: 1 MS (GC)

4,5-Dipropyl-7-n-butylbicyclo[2,2,2]oct-5-en-2,3-dione
SpectraBase Compound ID 45Sp9o7Qj91
InChI InChI=1S/C18H28O2/c1-4-7-9-13-12-18(10-6-3)14(8-5-2)11-15(13)16(19)17(18)20/h11,13,15H,4-10,12H2,1-3H3/t13-,15-,18-/m1/s1
InChIKey FFWLFCWOVYWNIT-DDUZABMNSA-N
Mol Weight 276.42 g/mol
Molecular Formula C18H28O2
Exact Mass 276.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CereMK2fRnv
Name 4,5-Dipropyl-7-n-butylbicyclo[2,2,2]oct-5-en-2,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O2
InChI InChI=1S/C18H28O2/c1-4-7-9-13-12-18(10-6-3)14(8-5-2)11-15(13)16(19)17(18)20/h11,13,15H,4-10,12H2,1-3H3/t13-,15-,18-/m1/s1
InChIKey FFWLFCWOVYWNIT-DDUZABMNSA-N
Molecular Weight 276.420 g/mol
SMILES [C@@]12(C(C(=O)[C@@]([C@@](C2)(CCCC)[H])(C=C1CCC)[H])=O)CCC
SPLASH splash10-05fr-0390000000-38b36d82e518ca870e90
Source of Spectrum QA-31-266-6
Synonyms 8-Butyl-1,6-dipropylbicyclo[2.2.2]oct-5-ene-2,3-dione
Wiley ID 860892