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6,6-DIMETHYL-TRANS-2-METHYL-3-OXOBICYCLO-[3.1.1]-HEPTAN,PINOCAMPHON
SpectraBase Compound ID DHrZIANKBsn
InChI InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7-,8+/m0/s1
InChIKey MQPHVIPKLRXGDJ-BIIVOSGPSA-N
Mol Weight 152.24 g/mol
Molecular Formula C10H16O
Exact Mass 152.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ImS9JLtAeWc
Name Pinocamphone
CAS Registry Number 547-60-4
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 152.120115134 u
Formula C10H16O
InChI InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7-,8+/m0/s1
InChIKey MQPHVIPKLRXGDJ-BIIVOSGPSA-N
Molecular Weight 152.237 g/mol
Number of Peaks 50
RI1 1160
RI2 837
SMILES C1([C@@]2(CC([C@]([C@]1(C2)[H])(C)[H])=O)[H])(C)C
SPLASH splash10-05o3-9000000000-49a8a7b4546700ba1199
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, 2,6,6-trimethyl-, (1R,2S,5S)-
Wiley ID LM_FFNSC3_1502