| SpectraBase Spectrum ID |
DRUs8mQBDSM |
| Name |
1H-Indene-5-carboxylic acid, 7-formyl-2,3-dihydro-2-oxo-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.057908798 u |
| Formula |
C12H10O4 |
| InChI |
InChI=1S/C12H10O4/c1-16-12(15)8-2-7-4-10(14)5-11(7)9(3-8)6-13/h2-3,6H,4-5H2,1H3 |
| InChIKey |
DJWIKDUBLPXPAZ-UHFFFAOYSA-N |
| Molecular Weight |
218.208 g/mol |
| SMILES |
C12=C(C(C=O)=CC(=C2)C(=O)OC)CC(C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833892 |
