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(3aS,5R,7aR)-5-(tert-Butyl)octahydro-1-benzofuran
SpectraBase Compound ID Pu8Jm26sgB
InChI InChI=1S/C12H22O/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11/h9-11H,4-8H2,1-3H3/t9-,10-,11-/m1/s1
InChIKey CHWNVMCWNZSEJZ-GMTAPVOTSA-N
Mol Weight 182.31 g/mol
Molecular Formula C12H22O
Exact Mass 182.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H9yhMHsIZBB
Name (3aS,5R,7aR)-5-(tert-Butyl)octahydro-1-benzofuran
Alternate Name(s) (3aS,5R,7aR)-5-(tert-butyl)octahydrobenzofuran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O
InChI InChI=1S/C12H22O/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11/h9-11H,4-8H2,1-3H3/t9-,10-,11-/m1/s1
InChIKey CHWNVMCWNZSEJZ-GMTAPVOTSA-N
Literature Reference DOI 10.1002/cbdv.201400153
Molecular Weight 182.307 g/mol
SMILES C1[C@@](CC[C@@]2([C@@]1(CCO2)[H])[H])(C(C)(C)C)[H]
SPLASH splash10-0a7i-9000000000-cf4277109aaeecc13d24
Source of Spectrum CBD-11-1649-13c
Wiley ID 1771368