| SpectraBase Compound ID | CqOjny6i2Gh |
|---|---|
| InChI | InChI=1S/C11H14O3/c1-8-6-11(14-3)9(4-5-12)7-10(8)13-2/h5-7H,4H2,1-3H3 |
| InChIKey | ADIRNCBFIBEJSC-UHFFFAOYSA-N |
| Mol Weight | 194.23 g/mol |
| Molecular Formula | C11H14O3 |
| Exact Mass | 194.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | upiNbnILL7 |
|---|---|
| Name | 2C-D-m (Deamino-oxo) P384 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.094294308 u |
| Formula | C11H14O3 |
| InChI | InChI=1S/C11H14O3/c1-8-6-11(14-3)9(4-5-12)7-10(8)13-2/h5-7H,4H2,1-3H3 |
| InChIKey | ADIRNCBFIBEJSC-UHFFFAOYSA-N |
| Molecular Weight | 194.230 g/mol |
| SMILES | C=1(C=C(CC=O)C(=CC1C)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966063 |