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1-[(2R,3R,3aR,8aR)-2-ethyl-3,3a,4,5,6,7,8,8a-octahydro-2H-cyclohepta[b]furan-3-yl]-1-pentanone
SpectraBase Compound ID 6Gt5f2sVPO7
InChI InChI=1S/C16H28O2/c1-3-5-10-13(17)16-12-9-7-6-8-11-15(12)18-14(16)4-2/h12,14-16H,3-11H2,1-2H3/t12-,14+,15+,16-/m0/s1
InChIKey PGNNIQNSHHWIEN-XZDPQHSOSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVKMVw1bd2n
Name 1-[(2R,3R,3aR,8aR)-2-ethyl-3,3a,4,5,6,7,8,8a-octahydro-2H-cyclohepta[b]furan-3-yl]-1-pentanone
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Formula C16H28O2
InChI InChI=1S/C16H28O2/c1-3-5-10-13(17)16-12-9-7-6-8-11-15(12)18-14(16)4-2/h12,14-16H,3-11H2,1-2H3/t12-,14+,15+,16-/m0/s1
InChIKey PGNNIQNSHHWIEN-XZDPQHSOSA-N
Molecular Weight 252.398 g/mol
SMILES [C@]1(O[C@]2([C@@]([C@]1(C(=O)CCCC)[H])(CCCCC2)[H])[H])(CC)[H]
SPLASH splash10-000i-9340000000-902f2e0e2e06603ce111
Source of Spectrum F-55-10134-14
Synonyms 1-[(2R,3R,3aR,8aR)-2-ethyl-3,3a,4,5,6,7,8,8a-octahydro-2H-cyclohepta[b]furan-3-yl]pentan-1-one
Wiley ID 838874