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4,5-Dipropyl-8-n-butylbicyclo[2,2,2]oct-5-en-2,3-dione
SpectraBase Compound ID 8dmpwWvPcNl
InChI InChI=1S/C18H28O2/c1-4-7-9-15-12-13-11-14(8-5-2)18(15,10-6-3)17(20)16(13)19/h11,13,15H,4-10,12H2,1-3H3/t13-,15+,18+/m0/s1
InChIKey FVVLKXHBNHXFFL-JCKWVBRZSA-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 7uRhbflTgoU
Name 4,5-Dipropyl-8-n-butylbicyclo[2,2,2]oct-5-en-2,3-dione
Alternate Name(s) 7-Butyl-1,6-dipropylbicyclo[2.2.2]oct-5-ene-2,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O2
InChI InChI=1S/C18H28O2/c1-4-7-9-15-12-13-11-14(8-5-2)18(15,10-6-3)17(20)16(13)19/h11,13,15H,4-10,12H2,1-3H3/t13-,15+,18+/m0/s1
InChIKey FVVLKXHBNHXFFL-JCKWVBRZSA-N
Molecular Weight 276.420 g/mol
SMILES [C@]12(C(C(=O)[C@](C[C@]2(CCCC)[H])(C=C1CCC)[H])=O)CCC
SPLASH splash10-03k9-1930000000-de3b1eabbabd55f9d2a5
Source of Spectrum QA-31-267-6
Wiley ID 860888