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(3aS,5R,7aR)-5-(tert-Butyl)octahydro-7a-methyl-1-benzofuran
SpectraBase Compound ID 6yhryvRDw4f
InChI InChI=1S/C13H24O/c1-12(2,3)10-5-7-13(4)11(9-10)6-8-14-13/h10-11H,5-9H2,1-4H3/t10-,11-,13-/m1/s1
InChIKey UBORAEXKHFAQNZ-NQBHXWOUSA-N
Mol Weight 196.33 g/mol
Molecular Formula C13H24O
Exact Mass 196.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8uDd3vkGa2T
Name (3aS,5R,7aR)-5-(tert-Butyl)octahydro-7a-methyl-1-benzofuran
Alternate Name(s) Seco-ambroxide (3aS,5R,7aR)-5-(tert-butyl)-7a-methyloctahydrobenzofuran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O
InChI InChI=1S/C13H24O/c1-12(2,3)10-5-7-13(4)11(9-10)6-8-14-13/h10-11H,5-9H2,1-4H3/t10-,11-,13-/m1/s1
InChIKey UBORAEXKHFAQNZ-NQBHXWOUSA-N
Literature Reference DOI 10.1002/cbdv.201400153
Molecular Weight 196.334 g/mol
SMILES C1[C@@](CC[C@@]2([C@@]1(CCO2)[H])C)(C(C)(C)C)[H]
SPLASH splash10-001j-9400000000-de6a2271d9e340553cb6
Source of Spectrum CBD-11-1648-13a
Wiley ID 1771366