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rac-(4aR,8R,8aR)-4a,8-Dimethyloctahydronaphthalen-2(1H)-one
SpectraBase Compound ID JClCAzagjKS
InChI InChI=1S/C12H20O/c1-9-4-3-6-12(2)7-5-10(13)8-11(9)12/h9,11H,3-8H2,1-2H3/t9-,11-,12-/m1/s1
InChIKey XMPCQTDMPUUQFZ-YUSALJHKSA-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 IrxDK60ULC6
Name rac-(4aR,8R,8aR)-4a,8-Dimethyloctahydronaphthalen-2(1H)-one
Appearance Oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-9-4-3-6-12(2)7-5-10(13)8-11(9)12/h9,11H,3-8H2,1-2H3/t9-,11-,12-/m1/s1
InChIKey XMPCQTDMPUUQFZ-YUSALJHKSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/hlca.202100180
Molecular Weight 180.291 g/mol
SMILES C1C(CC[C@]2(CCC[C@]([C@@]12[H])(C)[H])C)=O
SPLASH splash10-0a59-7900000000-9193c673228ae68b68e9
Source of Spectrum H-105-9-14
Wiley ID 1873483