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(1R,5S)-1,3,3,4,4-Pentamethylbicyclo[3.2.1]octan-2-one
SpectraBase Compound ID ERNkP0YToka
InChI InChI=1S/C13H22O/c1-11(2)9-6-7-13(5,8-9)10(14)12(11,3)4/h9H,6-8H2,1-5H3/t9-,13+/m0/s1
InChIKey QBKXWHRSCLEIKN-TVQRCGJNSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Js0iPIBPbpa
Name (1R,5S)-1,3,3,4,4-Pentamethylbicyclo[3.2.1]octan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-11(2)9-6-7-13(5,8-9)10(14)12(11,3)4/h9H,6-8H2,1-5H3/t9-,13+/m0/s1
InChIKey QBKXWHRSCLEIKN-TVQRCGJNSA-N
Literature Reference DOI 10.1002/hlca.200490180
Molecular Weight 194.318 g/mol
SMILES CC1(C([C@@]2(CC[C@@](C2)(C1(C)C)[H])C)=O)C
SPLASH splash10-001i-9100000000-1aef202edf9f12f38be2
Source of Spectrum H-87-2020-22
Wiley ID 1785556