| SpectraBase Compound ID | ITrtrXPeBmh |
|---|---|
| InChI | InChI=1S/C16H13NO2/c1-12(18)19-16-11-17(13-7-3-2-4-8-13)15-10-6-5-9-14(15)16/h2-11H,1H3 |
| InChIKey | RUSDDKCNWDTJPN-UHFFFAOYSA-N |
| Mol Weight | 251.28 g/mol |
| Molecular Formula | C16H13NO2 |
| Exact Mass | 251.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | mBXtWbWNZc |
|---|---|
| Name | 1-Phenyl-1H-indol-3-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.094628661 u |
| Formula | C16H13NO2 |
| InChI | InChI=1S/C16H13NO2/c1-12(18)19-16-11-17(13-7-3-2-4-8-13)15-10-6-5-9-14(15)16/h2-11H,1H3 |
| InChIKey | RUSDDKCNWDTJPN-UHFFFAOYSA-N |
| Molecular Weight | 251.285 g/mol |
| SMILES | C=1C=C2C(OC(C)=O)=CN(C3=CC=CC=C3)C2=CC1 |