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3,3-DIMETHYL-TRICYCLO-[6.3.0.0(1,5)]-UNDECAN-4-ONE
SpectraBase Compound ID 243RQaXZDo3
InChI InChI=1S/C13H20O/c1-12(2)8-13-7-3-4-9(13)5-6-10(13)11(12)14/h9-10H,3-8H2,1-2H3/t9-,10+,13+/m0/s1
InChIKey PQNUPCUJIOFKEM-OPQQBVKSSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GE2HKwgWmS6
Name Cyclopenta[c]pentalen-3(3aH)-one, octahydro-2,2-dimethyl-, (3a.alpha.,5a.beta.,8aR*)-
CAS Registry Number 91854-72-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O
InChI InChI=1S/C13H20O/c1-12(2)8-13-7-3-4-9(13)5-6-10(13)11(12)14/h9-10H,3-8H2,1-2H3/t9-,10+,13+/m0/s1
InChIKey PQNUPCUJIOFKEM-OPQQBVKSSA-N
Molecular Weight 192.302 g/mol
SMILES [C@@]123[C@@](C(=O)C(C3)(C)C)(CC[C@@]1(CCC2)[H])[H]
SPLASH splash10-052u-1900000000-b400a009f2b346d6f8ed
Source of Spectrum I-62-1162-0
Synonyms (1R*,5S*,8S*)-3,3-dimethyltricyclo[6.3.0.0(1,5)]undecan-4-one (3aS,5aS,8aR)-2,2-dimethyloctahydrocyclopenta[c]pentalen-3(3aH)-one 3,3-Dimethyltricyclo[6.3.0.0(1,5)]undecan-4-one
Wiley ID 1189221