| SpectraBase Spectrum ID |
2RCCFLT4n9J |
| Name |
2,5-Cyclohexadien-1-one, 4,4-dimethyl-, (D2) |
| CAS Registry Number |
1073-14-9 |
| Comments |
Note: The molecular formula of the structure shown is C8H10O - which differs from the formula reported for the mass spectrum (C8H8D2O) |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H8D2O |
| InChI |
InChI=1S/C8H10O/c1-8(2)5-3-7(9)4-6-8/h3-6H,1-2H3 |
| InChIKey |
YKDJBIPPVNMAGR-UHFFFAOYSA-N |
| Molecular Weight |
122.167 g/mol |
| SMILES |
C1=CC(C=CC1=O)(C)C |
| SPLASH |
splash10-003r-9100000000-7123337c09bff766b22b |
| Synonyms |
4,4-Dimethyl-2,5-cyclohexadien-1-one, (D2)
4,4-Dimethylcyclohexa-2,5-dien-1-one, (D2)
4,4-Dimethyl-1-cyclohexa-2,5-dienone, (D2)
4,4-Dimethylcyclohexadienone, (D2) |
| Wiley ID |
1474063 |
