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1H-Cyclobuta[d]naphthalen-3(4H)-one, octahydro-5a-methyl-, (2a.alpha.,5a.beta.,9aS*)-(.+-.)-
SpectraBase Compound ID 4e8I9kVqyXZ
InChI InChI=1S/C13H20O/c1-12-6-2-3-7-13(12)9-4-10(13)11(14)5-8-12/h10H,2-9H2,1H3/t10-,12-,13-/m0/s1
InChIKey KMYPITFAVGHJCD-DRZSPHRISA-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 CaryP7wwFdU
Name 1H-Cyclobuta[d]naphthalen-3(4H)-one, octahydro-5a-methyl-, (2a.alpha.,5a.beta.,9aS*)-(.+-.)-
CAS Registry Number 130436-25-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O
InChI InChI=1S/C13H20O/c1-12-6-2-3-7-13(12)9-4-10(13)11(14)5-8-12/h10H,2-9H2,1H3/t10-,12-,13-/m0/s1
InChIKey KMYPITFAVGHJCD-DRZSPHRISA-N
Molecular Weight 192.302 g/mol
SMILES [C@@]123[C@@](C(=O)CC[C@]3(C)CCCC1)([H])CC2
SPLASH splash10-022l-0900000000-6fdb0a39fdc988cd9a95
Source of Spectrum J-56-465-10
Synonyms (1R*,4S*,8R*)-8-Methyltricyclo[6.4.0.0(1,4)]dodecan-5-ones (2aR,5aS,9aS)-5a-methyloctahydro-1H-cyclobuta[d]naphthalen-3(4H)-one
Wiley ID 1189030