| SpectraBase Spectrum ID |
mMECwW7Gay |
| Name |
Methyl-(3E)-hexen-2-one<5-> |
| CAS Registry Number |
1821-29-0 |
| 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 |
112.088815005 u |
| Formula |
C7H12O |
| 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/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 |
| Nominal Mass |
112 u |
| Number of Peaks |
59 |
| 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 |
| Wiley ID |
RA000963 |
