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(-)-2,6,6-TRIMETHYLBICYCLO[3.1.1]HEPTAN-2-OL-3-ONE
SpectraBase Compound ID Kn3jSENJIpx
InChI InChI=1S/C10H16O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-7,12H,4-5H2,1-3H3/t6-,7-,10+/m0/s1
InChIKey VZRRCQOUNSHSGB-MHYGZLNHSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lcda6zw15Ls
Name Pinocamphone
CAS Registry Number 84236-04-4
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 168.115029753 u
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-7,12H,4-5H2,1-3H3/t6-,7-,10+/m0/s1
InChIKey VZRRCQOUNSHSGB-MHYGZLNHSA-N
Molecular Weight 168.236 g/mol
Number of Peaks 50
RI1 1253
SMILES O[C@]1(C(C[C@@]2(C[C@]1(C2(C)C)[H])[H])=O)C
SPLASH splash10-006x-9000000000-877be9c63cb9178b85f3
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Bicyclo[3.1.1]heptan-3-one, 2-hydroxy-2,6,6-trimethyl-
Wiley ID LM_FFNSC3_2525