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(S,R,R)-2,3-Dimethyl-6-(undec-1-enyl)-1,4-dioxaspiro[4.4]nonane
SpectraBase Compound ID 59RgEsrkz2f
InChI InChI=1S/C20H36O2/c1-4-5-6-7-8-9-10-11-12-14-19-15-13-16-20(19)21-17(2)18(3)22-20/h12,14,17-19H,4-11,13,15-16H2,1-3H3/b14-12+/t17-,18+,19-,20?/m0/s1
InChIKey WQZQVLZWXQMZHQ-HFEQUUCPSA-N
Mol Weight 308.5 g/mol
Molecular Formula C20H36O2
Exact Mass 308.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34N992cZUnF
Name (S,R,R)-2,3-Dimethyl-6-(undec-1-enyl)-1,4-dioxaspiro[4.4]nonane
Comments Note: The molecular formula of the structure shown is C20H36O2 - which differs from the formula reported for the mass spectrum (C21H38O2)
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Formula C21H38O2
InChI InChI=1S/C20H36O2/c1-4-5-6-7-8-9-10-11-12-14-19-15-13-16-20(19)21-17(2)18(3)22-20/h12,14,17-19H,4-11,13,15-16H2,1-3H3/b14-12+/t17-,18+,19-,20?/m0/s1
InChIKey WQZQVLZWXQMZHQ-HFEQUUCPSA-N
Molecular Weight 308.506 g/mol
SMILES [C@@]1(OC2(O[C@@]1(C)[H])[C@](CCC2)(\C=C\CCCCCCCCC)[H])(C)[H]
SPLASH splash10-004i-0901000000-7485a5c34a72b70ccacf
Source of Spectrum SO-0-624-7
Wiley ID 873648