| SpectraBase Spectrum ID |
2qATgLmk1w |
| Name |
Isophorone<4-keto-> |
| CAS Registry Number |
1125-21-9 |
| 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 |
152.083729624 u |
| Formula |
C9H12O2 |
| 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/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3 |
| InChIKey |
AYJXHIDNNLJQDT-UHFFFAOYSA-N |
| Molecular Weight |
152.193 g/mol |
| Nominal Mass |
152 u |
| Number of Peaks |
90 |
| SMILES |
C1C(C(C(=CC1=O)C)=O)(C)C |
| SPLASH |
splash10-014j-9200000000-27b5c415613ef968eaa6 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001796 |
