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(1S(*),5S(*),8S(*))-5-Methyltricyclo[6.3.0.0(1,5)]undec-2-en-4-one
SpectraBase Compound ID LquJ0BcRwFh
InChI InChI=1S/C12H16O/c1-11-7-4-9-3-2-6-12(9,11)8-5-10(11)13/h5,8-9H,2-4,6-7H2,1H3/t9-,11+,12+/m0/s1
InChIKey SWEYELFNJINHQP-MVWJERBFSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hDbGAfdO6b
Name (1S(*),5S(*),8S(*))-5-Methyltricyclo[6.3.0.0(1,5)]undec-2-en-4-one
CAS Registry Number 130548-52-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-11-7-4-9-3-2-6-12(9,11)8-5-10(11)13/h5,8-9H,2-4,6-7H2,1H3/t9-,11+,12+/m0/s1
InChIKey SWEYELFNJINHQP-MVWJERBFSA-N
Molecular Weight 176.259 g/mol
SMILES [C@]12([C@]3(C=CC2=O)[C@](CCC3)([H])CC1)C
SPLASH splash10-01t9-0900000000-ae0b78482813cc2ad4cb
Source of Spectrum J-56-465-16
Synonyms (3aS,5aS,8aS)-3a-methyl-4,5,5a,6,7,8-hexahydrocyclopenta[c]pentalen-3(3aH)-one
Wiley ID 1172792