| SpectraBase Compound ID | BXT87kiwj35 |
|---|---|
| InChI | InChI=1S/C12H10O2/c13-9-12-11(6-7-14-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2 |
| InChIKey | GIEDBDWDDOPLKL-UHFFFAOYSA-N |
| Mol Weight | 186.21 g/mol |
| Molecular Formula | C12H10O2 |
| Exact Mass | 186.06808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AY1WirLDuHM |
|---|---|
| Name | 3-(Phenylmethyl)-2-furancarboxaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.068079560 u |
| Formula | C12H10O2 |
| InChI | InChI=1S/C12H10O2/c13-9-12-11(6-7-14-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2 |
| InChIKey | GIEDBDWDDOPLKL-UHFFFAOYSA-N |
| Molecular Weight | 186.210 g/mol |
| SMILES | C1(=C(OC=C1)C=O)CC=1C=CC=CC1 |