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MUUROLA-4,10(14)-DIEN-3-ONE
SpectraBase Compound ID 7tQR46PIHdW
InChI InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h7,9,12-14H,3,5-6,8H2,1-2,4H3/t12-,13+,14-/m0/s1
InChIKey QUTSKAAVYUOEQA-MJBXVCDLSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KcDdpqnIm3R
Name (4aR,5S,8aS)-3-methyl-8-methylene-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O
InChI InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h7,9,12-14H,3,5-6,8H2,1-2,4H3/t12-,13+,14-/m0/s1
InChIKey QUTSKAAVYUOEQA-MJBXVCDLSA-N
Molecular Weight 218.340 g/mol
SMILES [C@@]12(C=C(C)C(C[C@@]2(C(=C)CC[C@]1(C(C)C)[H])[H])=O)[H]
SPLASH splash10-00kg-3900000000-85e777dd291f4883d3e3
Source of Spectrum G4-65-27-1
Synonyms (4aR,5S,8aS)-3-methyl-8-methylidene-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one (4aR,5S,8aS)-5-isopropyl-3-methyl-8-methylene-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
Wiley ID 1609377