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Sabina ketone <dehydro->
SpectraBase Compound ID 1WOSBPjssCP
InChI InChI=1S/C9H12O/c1-6(2)9-4-3-8(10)7(9)5-9/h3-4,6-7H,5H2,1-2H3
InChIKey IBMZINAPWMATGM-UHFFFAOYSA-N
Mol Weight 136.19 g/mol
Molecular Formula C9H12O
Exact Mass 136.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dVUg1BCyzv
Name Sabina ketone
CAS Registry Number 36262-12-1
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 136.088815005 u
Formula C9H12O
InChI InChI=1S/C9H12O/c1-6(2)9-4-3-8(10)7(9)5-9/h3-4,6-7H,5H2,1-2H3
InChIKey IBMZINAPWMATGM-UHFFFAOYSA-N
Molecular Weight 136.194 g/mol
Number of Peaks 50
RI1 1122
SMILES CC(C)C12C(C(=O)C=C2)C1
SPLASH splash10-0006-9100000000-1297d33ae3f52893b83f
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[3.1.0]hex-3-en-2-one, 5-(1-methylethyl)-
Wiley ID LM_FFNSC3_2841