| SpectraBase Compound ID | 1kKuZGRw3Ub |
|---|---|
| InChI | InChI=1S/C11H12O3/c1-2-3-9(12)8-4-5-10-11(6-8)14-7-13-10/h4-6H,2-3,7H2,1H3 |
| InChIKey | VHOZZIUFGVJOEL-UHFFFAOYSA-N |
| Mol Weight | 192.21 g/mol |
| Molecular Formula | C11H12O3 |
| Exact Mass | 192.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2Hi1VI6Zv86 |
|---|---|
| Name | 3,4-(Methylenedioxy)-phenylbutanone-1 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.078644243 u |
| Formula | C11H12O3 |
| InChI | InChI=1S/C11H12O3/c1-2-3-9(12)8-4-5-10-11(6-8)14-7-13-10/h4-6H,2-3,7H2,1H3 |
| InChIKey | VHOZZIUFGVJOEL-UHFFFAOYSA-N |
| Molecular Weight | 192.214 g/mol |
| SMILES | CCCC(C1=CC2=C(C=C1)OCO2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914712 |