| SpectraBase Spectrum ID |
Iq4quRfZxHY |
| Name |
1-Cyclohexene-1-propanoic acid, 2,6,6-trimethyl- |
| CAS Registry Number |
54344-70-6 |
| Comments |
Note: The molecular formula of the structure shown is C12H20O2 - which differs from the formula reported for the mass spectrum (C12H19DO2) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H19DO2 |
| InChI |
InChI=1S/C12H20O2/c1-9-5-4-8-12(2,3)10(9)6-7-11(13)14/h4-8H2,1-3H3,(H,13,14) |
| InChIKey |
XGLLJUVXMZWZHK-UHFFFAOYSA-N |
| Molecular Weight |
196.290 g/mol |
| SMILES |
OC(CCC=1C(C)(C)CCCC1C)=O |
| SPLASH |
splash10-008c-7900000000-400e8198a830635ef32b |
| Synonyms |
3-(2,6,6-Trimethyl-1-cyclohexen-1-yl)propanoic acid
3-(2,6,6-trimethyl-1-cyclohexenyl)propanoic acid
3-(2,6,6-trimethylcyclohexen-1-yl)propanoic acid
3-(2,6,6-trimethylcyclohexen-1-yl)propionic acid |
| Wiley ID |
1480908 |
