| SpectraBase Spectrum ID |
DmvdJeciZXA |
| Name |
Triacetin |
| 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 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| 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 |
| Nominal Mass |
218 u |
| Number of Peaks |
41 |
| SMILES |
C(OC(=O)C)(COC(C)=O)COC(C)=O |
| SPLASH |
splash10-0006-9200000000-eccfe7eb232e8a5308bf |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA002104 |
