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3-Acetyl-2,7a-dimethyl-3a,4,5,6,7,7a-hexahydrobenzofuran
SpectraBase Compound ID Bjg43GEpcnn
InChI InChI=1S/C12H18O2/c1-8(13)11-9(2)14-12(3)7-5-4-6-10(11)12/h10H,4-7H2,1-3H3/t10-,12-/m0/s1
InChIKey KMLKAUUJNJTWRC-JQWIXIFHSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6pD3RHoNTn
Name 3-Acetyl-2,7a-dimethyl-3a,4,5,6,7,7a-hexahydrobenzofuran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-8(13)11-9(2)14-12(3)7-5-4-6-10(11)12/h10H,4-7H2,1-3H3/t10-,12-/m0/s1
InChIKey KMLKAUUJNJTWRC-JQWIXIFHSA-N
Molecular Weight 194.274 g/mol
SMILES C1(=C(O[C@@]2([C@]1(CCCC2)[H])C)C)C(=O)C
SPLASH splash10-0iru-0900000000-3199946a820a133c6ea1
Source of Spectrum KC-0-1490-17
Synonyms (3aS,7aS)-3-Acetyl-2,7a-dimethyl-3a,4,5,6,7,7a-hexahydrobenzofuran 1-(2,7a-dimethyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran-3-yl)ethanone 1-[(3aS,7aS)-2,7a-dimethyl-4,5,6,7-tetrahydro-3aH-1-benzofuran-3-yl]ethanone
Wiley ID 786050