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6-[(1S,2S,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-yl]hexyl pivaloate
SpectraBase Compound ID 1oHXgFDU3Ec
InChI InChI=1S/C20H36O2/c1-19(2,3)18(21)22-13-9-7-6-8-10-15-11-12-16-14-17(15)20(16,4)5/h15-17H,6-14H2,1-5H3/t15-,16-,17-/m0/s1
InChIKey KOVPHBMWXGYZTF-ULQDDVLXSA-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 B3oAQJL3hvH
Name 6-[(1S,2S,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-yl]hexyl pivaloate
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Formula C20H36O2
InChI InChI=1S/C20H36O2/c1-19(2,3)18(21)22-13-9-7-6-8-10-15-11-12-16-14-17(15)20(16,4)5/h15-17H,6-14H2,1-5H3/t15-,16-,17-/m0/s1
InChIKey KOVPHBMWXGYZTF-ULQDDVLXSA-N
Molecular Weight 308.506 g/mol
SMILES C1([C@@]2([C@@](CCCCCCOC(C(C)(C)C)=O)(CC[C@]1(C2)[H])[H])[H])(C)C
SPLASH splash10-0089-9600000000-6c2d7b9b9ff2c1f6c2b5
Source of Spectrum J-64-3553-27
Synonyms 6-[(1S,2S,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-yl]hexyl pivalate
Wiley ID 1530129