| SpectraBase Spectrum ID |
LuGbiBHIW9x |
| Name |
3-Methyl-4-heptanone (impure) |
| CAS Registry Number |
15726-15-5 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H16O |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness) |
| GC Oven Program |
60 ??C to 246 ??C at 3 ??C/min. |
| InChI |
InChI=1S/C8H16O/c1-4-5-8(9)6-7(2)3/h7H,4-6H2,1-3H3 |
| InChIKey |
AKRJXOYALOGLHQ-UHFFFAOYSA-N |
| Molecular Weight |
128.215 g/mol |
| SMILES |
C(C(CCC)=O)C(C)C |
| SPLASH |
splash10-052f-9000000000-2e343e969693d284b8b3 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Synonyms |
Heptanone<3-methyl-4-> (impure) |
| Wiley ID |
1887441 |
