| SpectraBase Spectrum ID |
Je51REYGHBz |
| Name |
5-Methyl-(3E)-hexen-2-one |
| CAS Registry Number |
1821-29-0 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H12O |
| 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/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4+ |
| InChIKey |
IYMKNYVCXUEFJE-SNAWJCMRSA-N |
| Molecular Weight |
112.172 g/mol |
| SMILES |
CC(\C=C\C(C)C)=O |
| SPLASH |
splash10-0006-9100000000-2d3f0b9f67dae03dea5f |
| Source |
ex BEDOUKIAN CHEM ex JJ BROPHY |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Synonyms |
Methyl-(3E)-hexen-2-one<5-> |
| Wiley ID |
1886724 |
