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(3aR,5S,7aS)-5-tert-butyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
SpectraBase Compound ID E55nukaGX9t
InChI InChI=1S/C12H20O2/c1-12(2,3)9-4-5-10-8(6-9)7-11(13)14-10/h8-10H,4-7H2,1-3H3/t8-,9+,10+/m1/s1
InChIKey WXEMDVAITHCACX-UTLUCORTSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ce2lm1DgxFY
Name (3aR,5S,7aS)-5-tert-butyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
Alternate Name(s) (3aR,5S,7aS)-5-tert-butyl-3a,4,5,6,7,7a-hexahydro-3H-benzofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-12(2,3)9-4-5-10-8(6-9)7-11(13)14-10/h8-10H,4-7H2,1-3H3/t8-,9+,10+/m1/s1
InChIKey WXEMDVAITHCACX-UTLUCORTSA-N
Molecular Weight 196.290 g/mol
SMILES C1(O[C@@]2([C@@](C1)(C[C@](CC2)(C(C)(C)C)[H])[H])[H])=O
SPLASH splash10-0a4i-9200000000-7c53afb2b8f467b26276
Source of Spectrum H-77-652-6
Wiley ID 1193693