| SpectraBase Spectrum ID |
G0Z3hy0ViM4 |
| Name |
7,8-Dihydro-4,7,7-trimethyl-2H-1-benzopyran-2,5(6H)-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.094294308 u |
| Formula |
C12H14O3 |
| InChI |
InChI=1S/C12H14O3/c1-7-4-10(14)15-9-6-12(2,3)5-8(13)11(7)9/h4H,5-6H2,1-3H3 |
| InChIKey |
HJUGCIXWIAMGBH-UHFFFAOYSA-N |
| Molecular Weight |
206.241 g/mol |
| SMILES |
C=12C(CC(CC1OC(C=C2C)=O)(C)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.829127 |
