| SpectraBase Spectrum ID |
8JncwnySQxE |
| Name |
4-Methyl-2,4,6-cycloheptatrien-1-one |
| Classification |
Chemical |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
120.057514877 u |
| Formula |
C8H8O |
| InChI |
InChI=1S/C8H8O/c1-7-3-2-4-8(9)6-5-7/h2-6H,1H3 |
| InChIKey |
CLXWZFLIMLBJIS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
120.151 g/mol |
| Nominal Mass |
120 u |
| Quality |
981 |
| Retention Index |
874 |
| SMILES |
C1(C=CC=C(C=C1)C)=O |
| SPLASH |
splash10-0006-9000000000-7b3d0617c6b4aedde533 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-methylcyclohepta-2,4,6-trien-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033369 |
