| SpectraBase Spectrum ID |
4AIRSL2FDU |
| Name |
Heptanone<4-methyl-3-> |
| CAS Registry Number |
6137-11-7 |
| 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 |
128.120115134 u |
| Formula |
C8H16O |
| 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/C8H16O/c1-4-6-7(3)8(9)5-2/h7H,4-6H2,1-3H3 |
| InChIKey |
MVLRILUUXLBENA-UHFFFAOYSA-N |
| Molecular Weight |
128.215 g/mol |
| Nominal Mass |
128 u |
| Number of Peaks |
54 |
| SMILES |
C(C(CCC)C)(CC)=O |
| SPLASH |
splash10-0abc-9000000000-32319bae81a1c73bbea4 |
| Source |
ex ALDRICH ex JJ BROPHY |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001681 |
