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(1R(*),5S(*),8S(*))-5-Methyltricyclo[6.3.0.0(1,5)]undecan-4-one
SpectraBase Compound ID Kz6Vnjk5WHp
InChI InChI=1S/C12H18O/c1-11-7-4-9-3-2-6-12(9,11)8-5-10(11)13/h9H,2-8H2,1H3/t9-,11+,12+/m0/s1
InChIKey ZWQCJWSYVNSIKH-MVWJERBFSA-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 Ehik7SQWxvR
Name (1R(*),5S(*),8S(*))-5-Methyltricyclo[6.3.0.0(1,5)]undecan-4-one
CAS Registry Number 130436-29-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-11-7-4-9-3-2-6-12(9,11)8-5-10(11)13/h9H,2-8H2,1H3/t9-,11+,12+/m0/s1
InChIKey ZWQCJWSYVNSIKH-MVWJERBFSA-N
Molecular Weight 178.275 g/mol
SMILES [C@]12([C@]3(CCC2=O)[C@](CCC3)([H])CC1)C
SPLASH splash10-00fr-0900000000-94dd1e3085b0057d83f0
Source of Spectrum J-56-466-17
Synonyms (3aS,5aS,8aR)-3a-methyloctahydrocyclopenta[c]pentalen-3(3aH)-one
Wiley ID 1174776