| Catalog Number |
ACM39058441 |
| CAS |
39058-44-1 |
| Structure |
 |
| Synonyms |
1-(Phenyl-D5)Butan-1-One |
| IUPAC Name |
1-(2,3,4,5,6-pentadeuteriophenyl)butan-1-one |
| Molecular Weight |
153.23 |
| Molecular Formula |
C10H7D5O |
| Canonical SMILES |
CCCC(=O)C1=CC=CC=C1 |
| InChI |
InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3/i3D,4D,5D,7D,8D |
| InChI Key |
FFSAXUULYPJSKH-LOOCXSPQSA-N |
| Purity |
97 atom % D |
| Chemical Formula |
C6D5COCH2CH2CH3 |
| Exact Mass |
153.12000 |
| Hazards |
Non-hazardous for transport. |
| Isomeric SMILES |
[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)CCC)[2H])[2H] |
| Isotopic Enrichment |
97 atom % D |
| Stability |
Stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use. |
| Storage Conditions |
Store at room temperature |
| Unlabeled CAS |
495-40-9 |
| Unlabeled Synonyms |
Phenyl propyl ketone; 1-Phenyl-1-butanone |
