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(+)-(2S,6S,9R)-Irol Acetate
SpectraBase Compound ID BVpaxyjuWln
InChI InChI=1S/C16H26O2/c1-11-7-8-12(2)16(5,6)15(11)10-9-13(3)18-14(4)17/h9-10,12-13,15H,1,7-8H2,2-6H3/b10-9+/t12-,13+,15-/m0/s1
InChIKey HNLXPHDVRSCVRJ-GHNWPUKSSA-N
Mol Weight 250.38 g/mol
Molecular Formula C16H26O2
Exact Mass 250.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CGCt8uQym
Name (+)-(2S,6S,9R)-Irol Acetate
Alternate Name(s) (R,E)-4-((1S,3S)-2,2,3-trimethyl-6-methylenecyclohexyl)but-3-en-2-yl acetate
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Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-11-7-8-12(2)16(5,6)15(11)10-9-13(3)18-14(4)17/h9-10,12-13,15H,1,7-8H2,2-6H3/b10-9+/t12-,13+,15-/m0/s1
InChIKey HNLXPHDVRSCVRJ-GHNWPUKSSA-N
Literature Reference DOI 10.1002_1522-2675(20011219)84_12_3650
Molecular Weight 250.382 g/mol
SMILES [C@@]1(C)(CCC(=C)[C@](\C=C\[C@@](C)(OC(C)=O)[H])(C1(C)C)[H])[H]
SPLASH splash10-052f-3900000000-7b5ead3321458823bcfa
Source of Spectrum H-84-3664-(+)_5
Wiley ID 1787536