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(3aS,5R,7aR)-5-(1,1-Dimethylpropyl)octahydro-7a-methyl-1-benzofuran
SpectraBase Compound ID CthscFwXUsN
InChI InChI=1S/C14H26O/c1-5-13(2,3)11-6-8-14(4)12(10-11)7-9-15-14/h11-12H,5-10H2,1-4H3/t11-,12-,14-/m1/s1
InChIKey NDPOUNKBITXIFM-YRGRVCCFSA-N
Mol Weight 210.36 g/mol
Molecular Formula C14H26O
Exact Mass 210.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3SYMRdHcMC
Name (3aS,5R,7aR)-5-(1,1-Dimethylpropyl)octahydro-7a-methyl-1-benzofuran
Alternate Name(s) (3aS,5R,7aR)-7a-methyl-5-(tert-pentyl)octahydrobenzofuran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H26O
InChI InChI=1S/C14H26O/c1-5-13(2,3)11-6-8-14(4)12(10-11)7-9-15-14/h11-12H,5-10H2,1-4H3/t11-,12-,14-/m1/s1
InChIKey NDPOUNKBITXIFM-YRGRVCCFSA-N
Literature Reference DOI 10.1002/cbdv.201400153
Molecular Weight 210.361 g/mol
SMILES C1[C@@](CC[C@@]2([C@@]1(CCO2)[H])C)(C(CC)(C)C)[H]
SPLASH splash10-0002-9500000000-6742be57d3a544f02904
Source of Spectrum CBD-11-1649-13e_1
Wiley ID 1771370