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(1R*,5S*,8R*,9R*)-2,9-Dimethyltricyclo[6.3.0.0(1,5)]undec-2-en-4-one
SpectraBase Compound ID 6pPqOb76f2g
InChI InChI=1S/C13H18O/c1-8-5-6-13-9(2)7-12(14)11(13)4-3-10(8)13/h7-8,10-11H,3-6H2,1-2H3/t8-,10-,11-,13-/m1/s1
InChIKey YYNQSRPSSDBFLH-UORFTKCHSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ABhsILtOoE
Name (1R*,5S*,8R*,9R*)-2,9-Dimethyltricyclo[6.3.0.0(1,5)]undec-2-en-4-one
Alternate Name(s) (3aS,5aR,6R,8aR)-1,6-dimethyl-4,5,5a,6,7,8-hexahydrocyclopenta[c]pentalen-3(3aH)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-8-5-6-13-9(2)7-12(14)11(13)4-3-10(8)13/h7-8,10-11H,3-6H2,1-2H3/t8-,10-,11-,13-/m1/s1
InChIKey YYNQSRPSSDBFLH-UORFTKCHSA-N
Literature Reference DOI 10.1002/hlca.19810640417
Molecular Weight 190.286 g/mol
SMILES C1[C@]2([C@@]3([C@](C(C=C3C)=O)([H])C1)CC[C@]2(C)[H])[H]
SPLASH splash10-002g-3900000000-0676b3c36394c1c0562f
Source of Spectrum H-64-1131-18
Wiley ID 1797566