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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 CHQbIFuA6Uw
Name 5-t-Butylhexahydro-2(3H)-benzofuranone
Alternate Name(s) (3aR,5R,7aS)*-trans-5-t-Butylhexahydro-2(3H)-benzofuranone 5-tert-Butylhexahydro-1-benzofuran-2(3H)-one
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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-9100000000-6ec1494d6aa6b9c90333
Source of Spectrum QC-8-4109-9
Wiley ID 870266