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4,7,7-Trimethylbicyclo[4.1.0]hexan-3-one
SpectraBase Compound ID IlaJNCJoEGx
InChI InChI=1S/C10H16O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-8H,4-5H2,1-3H3
InChIKey ABSCYWMYRVUUIC-UHFFFAOYSA-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 HaW9fyVt8aq
Name Caranone
CAS Registry Number 4176-01-6
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/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-8H,4-5H2,1-3H3
InChIKey ABSCYWMYRVUUIC-UHFFFAOYSA-N
Molecular Weight 152.237 g/mol
Number of Peaks 50
RI1 1205
SMILES C12C(C2(C)C)CC(C(C1)=O)C
SPLASH splash10-0lec-9300000000-94b43f11838d8e7d00b3
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[4.1.0]heptan-3-one, 4,7,7-trimethyl-
Wiley ID LM_FFNSC3_2895