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(3aR,6R,7aR)-6,7,7-Trimethyl-hexahydro-isobenzofuran-1-one
SpectraBase Compound ID GeEdt0tC2Qk
InChI InChI=1S/C11H18O2/c1-7-4-5-8-6-13-10(12)9(8)11(7,2)3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m1/s1
InChIKey SUZHGMMKGWBTRK-VGMNWLOBSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKacGr2ASew
Name (3aR,6R,7aR)-6,7,7-Trimethyl-hexahydro-isobenzofuran-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-7-4-5-8-6-13-10(12)9(8)11(7,2)3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m1/s1
InChIKey SUZHGMMKGWBTRK-VGMNWLOBSA-N
Molecular Weight 182.263 g/mol
SMILES C1([C@@]2(C(OC[C@]2([H])CC[C@]1(C)[H])=O)[H])(C)C
SPLASH splash10-05ar-9700000000-913012b923a258af83b9
Source of Spectrum F-57-738-2
Synonyms (+-)-(3aR*,6S*,7aR*)-6,7,7-Trimethylhexahydro-2-benzofuran-1(3H)-one (3aR,6R,7aR)-6,7,7-trimethylhexahydro-2-benzofuran-1(3H)-one
Wiley ID 1549403