| Catalog Number |
ACM352431266-1 |
| CAS |
352431-26-6 |
| Structure |
 |
| Synonyms |
BENZYL BENZOATE-D12 |
| IUPAC Name |
[dideuterio-(2,3,4,5,6-pentadeuteriophenyl)methyl] 2,3,4,5,6-pentadeuteriobenzoate |
| Molecular Weight |
224.318 |
| Molecular Formula |
C14D12O2 |
| Canonical SMILES |
[2H]c1c([2H])c([2H])c(C(=O)OC([2H])([2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H] |
| InChI |
InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D2 |
| InChI Key |
SESFRYSPDFLNCH-USINEXLCSA-N |
| Purity |
98 atom % D |
| Storage |
+20 °C |
| Accurate Mass |
224.159 |
| Chemical Formula |
C6D5COOCD2C6D5 |
| Format |
Neat |
| Hazards |
Non-hazardous for transport. |
| Isomeric SMILES |
[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)OC([2H])([2H])C2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H])[2H])[2H] |
| Isotopic Enrichment |
98 atom % D |
| Shipping Temperature |
Room temperature |
| SIL Type |
Deuterium |
| 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 |
120-51-4 |
| Unlabeled Synonyms |
Benzoic acid benzyl ester |
