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rac-(4aR,8aR)-5,5-Dimethyloctahydronaphthalen-2(1H)-one
SpectraBase Compound ID IiicjIByGYC
InChI InChI=1S/C12H20O/c1-12(2)7-3-4-9-8-10(13)5-6-11(9)12/h9,11H,3-8H2,1-2H3/t9-,11-/m1/s1
InChIKey KGQRLEHMVKXIQY-MWLCHTKSSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lj2R6KnHccr
Name rac-(4aR,8aR)-5,5-Dimethyloctahydronaphthalen-2(1H)-one
Appearance Oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-12(2)7-3-4-9-8-10(13)5-6-11(9)12/h9,11H,3-8H2,1-2H3/t9-,11-/m1/s1
InChIKey KGQRLEHMVKXIQY-MWLCHTKSSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/hlca.202100180
Molecular Weight 180.291 g/mol
SMILES CC1([C@]2([C@](CCC1)(CC(CC2)=O)[H])[H])C
SPLASH splash10-05o1-6900000000-3e6948c504601c6a493b
Source of Spectrum H-105-11-22
Wiley ID 1873488