| SpectraBase Spectrum ID |
qViIipopKg |
| Name |
1-(3'-Hydroxy-3'-methyl-isovaleryl)cyclohepta-1,3,5-triene |
| Comments |
Note: The molecular formula of the structure shown is C13H19O2 - which differs from the formula reported for the mass spectrum (C13H18O2) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H19O2/c1-13(2,3,15)10-12(14)11-8-6-4-5-7-9-11/h4-8,15H,9-10H2,1-3H3 |
| InChIKey |
DRZMFDBXJASMFL-UHFFFAOYSA-N |
| Molecular Weight |
207.293 g/mol |
| SMILES |
O[C](CC(=O)C1=CC=CC=CC1)(C)(C)C |
| SPLASH |
splash10-00kf-9800000000-3379f4f057e6fb672611 |
| Source of Spectrum |
SK-30-2339-4 |
| Wiley ID |
881397 |
