| 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 |
