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5-Butyl-6-methyl-1,2,5,6,7,7a-hexahydroinden-4-one isomer

View entire compound with spectra: 2 NMR, and 2 MS (GC)

5-Butyl-6-methyl-1,2,5,6,7,7a-hexahydroinden-4-one isomer
SpectraBase Compound ID Gshte1lMsim
InChI InChI=1S/C14H22O/c1-3-4-7-12-10(2)9-11-6-5-8-13(11)14(12)15/h8,10-12H,3-7,9H2,1-2H3
InChIKey MDIAFJQMDFHRLH-UHFFFAOYSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ai16rCW2axF
Name 5-Butyl-6-methyl-1,2,5,6,7,7a-hexahydroinden-4-one isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O
InChI InChI=1S/C14H22O/c1-3-4-7-12-10(2)9-11-6-5-8-13(11)14(12)15/h8,10-12H,3-7,9H2,1-2H3
InChIKey MDIAFJQMDFHRLH-UHFFFAOYSA-N
Molecular Weight 206.329 g/mol
SMILES C1(C=2C(CCC2)CC(C1CCCC)C)=O
SPLASH splash10-0f79-2900000000-3bb4f6e18a2d1b2d5423
Source of Spectrum QE-4-64-4
Synonyms 5-Butyl-6-methyl-1,2,5,6,7,7a-hexahydroinden-4-one 5-Butyl-6-methyl-1,2,5,6,7,7a-hexahydro-4H-inden-4-one
Wiley ID 843410