| SpectraBase Spectrum ID |
B8DzJZJajRf |
| Name |
Pentanone<4-hydroxy-4-methyl-2-> |
| CAS Registry Number |
123-42-2 |
| 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 |
116.083729624 u |
| Formula |
C6H12O2 |
| 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/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3 |
| InChIKey |
SWXVUIWOUIDPGS-UHFFFAOYSA-N |
| Molecular Weight |
116.160 g/mol |
| Nominal Mass |
116 u |
| Number of Peaks |
42 |
| SMILES |
OC(CC(C)=O)(C)C |
| SPLASH |
splash10-0006-9000000000-979a4794e2458811e5d1 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA002008 |
