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δ-Dodecanolactone
SpectraBase Compound ID K9LEkSsaBOF
InChI InChI=1S/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3
InChIKey QRPLZGZHJABGRS-UHFFFAOYSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89Kjxypox34
Name Dodecalactone
Source of Sample SAFC Cat.no. W240109
CAS Registry Number 713-95-1
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 198.161979946 u
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3
InChIKey QRPLZGZHJABGRS-UHFFFAOYSA-N
Molecular Weight 198.306 g/mol
Number of Peaks 50
RI1 1708
RI2 1384
RI3 1805
RI4 1771
SMILES C1CCC(OC1=O)CCCCCCC
SPLASH splash10-0595-9100000000-13efd17e61239b75b81b
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 2H-Pyran-2-one, 6-heptyltetrahydro-
Wiley ID LM_FFNSC3_1143