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(tri-)ACETIN
SpectraBase Compound ID EzmRwIjMylE
InChI InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3
InChIKey URAYPUMNDPQOKB-UHFFFAOYSA-N
Mol Weight 218.2 g/mol
Molecular Formula C9H14O6
Exact Mass 218.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrLyT5Q9pzH
Name Triacetin
Source of Sample SAFC Cat.no. W200700
CAS Registry Number 102-76-1
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 218.079038165 u
Formula C9H14O6
InChI InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3
InChIKey URAYPUMNDPQOKB-UHFFFAOYSA-N
Molecular Weight 218.205 g/mol
Number of Peaks 43
RI1 1346
RI2 1024
SMILES C(OC(=O)C)C(OC(=O)C)COC(=O)C
SPLASH splash10-0006-9200000000-6b2cab333ffb454cd1f4
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 1,2,3-Propanetriol, triacetate
Wiley ID LM_FFNSC3_471