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(3aR,7S,7aR)-7-Methyl-hexahydro-benzofuran-2-one
SpectraBase Compound ID 25SnN7DcDVP
InChI InChI=1S/C9H14O2/c1-6-3-2-4-7-5-8(10)11-9(6)7/h6-7,9H,2-5H2,1H3/t6-,7+,9+/m0/s1
InChIKey BFWWGPIXMQLRTJ-LKEWCRSYSA-N
Mol Weight 154.21 g/mol
Molecular Formula C9H14O2
Exact Mass 154.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KefGwxZ47DM
Name (3aR,7S,7aR)-7-Methyl-hexahydro-benzofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O2
InChI InChI=1S/C9H14O2/c1-6-3-2-4-7-5-8(10)11-9(6)7/h6-7,9H,2-5H2,1H3/t6-,7+,9+/m0/s1
InChIKey BFWWGPIXMQLRTJ-LKEWCRSYSA-N
Molecular Weight 154.209 g/mol
SMILES C1(O[C@]2([C@@](C1)(CCC[C@@]2(C)[H])[H])[H])=O
SPLASH splash10-0a4j-9000000000-49d36832ff518ac5300a
Source of Spectrum F9-1995-1802-12
Synonyms (3aR,7S,7aR)-7-methylhexahydro-1-benzofuran-2(3H)-one 7-.alpha.-Methyl-(3a.beta.,7a.beta.)-hexahydro-2(3H)-benzofuranone 7a-Methyl-(3a.beta.,7a.beta.)hexahydro-2(3H)-benzofuranone
Wiley ID 1566998