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(1R*,5S*,6S*,8S*)-6-methyltricyclo[6.3.0.0(1,5)]undecan-4-one
SpectraBase Compound ID CBaYQAZhQUY
InChI InChI=1S/C12H18O/c1-8-7-9-3-2-5-12(9)6-4-10(13)11(8)12/h8-9,11H,2-7H2,1H3/t8-,9-,11+,12+/m0/s1
InChIKey GDJIGOSFKHYEJQ-GAIPPQHRSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AwSpGl2sz
Name (1R*,5S*,6S*,8S*)-6-methyltricyclo[6.3.0.0(1,5)]undecan-4-one
CAS Registry Number 137946-56-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-8-7-9-3-2-5-12(9)6-4-10(13)11(8)12/h8-9,11H,2-7H2,1H3/t8-,9-,11+,12+/m0/s1
InChIKey GDJIGOSFKHYEJQ-GAIPPQHRSA-N
Molecular Weight 178.275 g/mol
SMILES [C@@]123[C@]([C@@](C)(C[C@@]3(CCC1)[H])[H])(C(=O)CC2)[H]
SPLASH splash10-052b-6900000000-68698a2add7aefece760
Source of Spectrum J-57-1023-14
Synonyms (3aS,4S,5aS,8aR)-4-methyloctahydrocyclopenta[c]pentalen-3(3aH)-one
Wiley ID 1174806