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Paraldehyde
SpectraBase Compound ID 6paA77v1rxm
InChI InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
InChIKey SQYNKIJPMDEDEG-UHFFFAOYSA-N
Mol Weight 132.16 g/mol
Molecular Formula C6H12O3
Exact Mass 132.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9sCU5HidFGD
Name Paracetaldehyde isomer I
CAS Registry Number 123-63-7
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 132.078644243 u
Formula C6H12O3
InChI InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
InChIKey SQYNKIJPMDEDEG-UHFFFAOYSA-N
Molecular Weight 132.159 g/mol
Number of Peaks 35
RI1 781
RI2 442
RI3 492
RI4 448
SMILES C1(C)OC(OC(O1)C)C
SPLASH splash10-0002-9000000000-e8e37861389e7afdb683
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 1,3,5-Trioxane, 2,4,6-trimethyl-
Wiley ID LM_FFNSC3_1857