| SpectraBase Compound ID | I9ASQ7ZYwp8 |
|---|---|
| InChI | InChI=1S/C13H12O2/c14-13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h1-6,8-10,12H,7H2/b10-9+ |
| InChIKey | RLGHFVLWYYVMQZ-MDZDMXLPSA-N |
| Mol Weight | 200.24 g/mol |
| Molecular Formula | C13H12O2 |
| Exact Mass | 200.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EJzP1brnLne |
|---|---|
| Name | (R)-Goniothalamin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.083729624 u |
| Formula | C13H12O2 |
| InChI | InChI=1S/C13H12O2/c14-13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h1-6,8-10,12H,7H2/b10-9+ |
| InChIKey | RLGHFVLWYYVMQZ-MDZDMXLPSA-N |
| Molecular Weight | 200.237 g/mol |
| SMILES | C1(OC(\C=C\C2=CC=CC=C2)CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948057 |