| SpectraBase Spectrum ID |
LfIgTsCf3an |
| Name |
3,3,6-trimethyl-1-isobenzofuranone |
| Alternate Name(s) |
3,3,6-trimethyl-2-benzofuran-1-one
3,3,6-trimethylisobenzofuran-1-one
3,3,6-Trimethylphthalide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H12O2 |
| InChI |
InChI=1S/C11H12O2/c1-7-4-5-9-8(6-7)10(12)13-11(9,2)3/h4-6H,1-3H3 |
| InChIKey |
FWNAURCUAJEAIE-UHFFFAOYSA-N |
| Molecular Weight |
176.215 g/mol |
| SMILES |
C1(OC(C)(C)c2c1cc(cc2)C)=O |
| SPLASH |
splash10-004i-0900000000-b8950715a4c6c7bb3663 |
| Source of Spectrum |
J-60-6171-7 |
| Wiley ID |
1172517 |
