For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
rac-(3aR,4aR,8aR)-3a,7,7-Trimethyloctahydrocyclopenta[1,4]cyclobuta[1,2]benzen-5(6H)-one
SpectraBase Compound ID DSg2aFH104k
InChI InChI=1S/C14H22O/c1-12(2)8-11(15)10-7-13(3)5-4-6-14(10,13)9-12/h10H,4-9H2,1-3H3/t10-,13+,14+/m0/s1
InChIKey BYFNVFBOYFVRLB-ZLKJLUDKSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID H8CuiIzTVgH
Name rac-(3aR,4aR,8aR)-3a,7,7-Trimethyloctahydrocyclopenta[1,4]cyclobuta[1,2]benzen-5(6H)-one
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.167065327 u
Formula C14H22O
InChI InChI=1S/C14H22O/c1-12(2)8-11(15)10-7-13(3)5-4-6-14(10,13)9-12/h10H,4-9H2,1-3H3/t10-,13+,14+/m0/s1
InChIKey BYFNVFBOYFVRLB-ZLKJLUDKSA-N
Instrument Name Thermo Scientific DFS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201710441
Molecular Weight 206.329 g/mol
Quality 303
Reported Formula C14H22O
SMILES C1C([C@]2([C@@]3(CC1(C)C)[C@@](C2)(CCC3)C)[H])=O
SPLASH splash10-0006-7910000000-b2c960f3625b3032bd7f
Source of Spectrum ACI-57-SM14-rac-9b (DOI: 10.1002/anie.201710441)
Thin-Layer Chromatography 0.58 (Pentane/Et2O, 1:1)
Wiley ID 1891110