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Cyclododecanone
SpectraBase Compound ID L1djTcGohUs
InChI InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2
InChIKey SXVPOSFURRDKBO-UHFFFAOYSA-N
Mol Weight 182.31 g/mol
Molecular Formula C12H22O
Exact Mass 182.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BbIznnyw9f
Name Cyclododecanone
Source of Sample SAFC Cat.no. C97458
CAS Registry Number 830-13-7
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 182.167065327 u
Formula C12H22O
InChI InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2
InChIKey SXVPOSFURRDKBO-UHFFFAOYSA-N
Molecular Weight 182.307 g/mol
Number of Peaks 50
RI1 1514
RI2 1191
SMILES C1CCCCC(CCCCCC1)=O
SPLASH splash10-0a4l-9100000000-475828e6e38950cd759f
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 Cyclododecanone
Wiley ID LM_FFNSC3_1846