| SpectraBase Compound ID | KTSRe1emaOI |
|---|---|
| InChI | InChI=1S/C16H13NO3/c1-11(18)20-16-14-10-6-5-9-13(14)15(19)17(16)12-7-3-2-4-8-12/h2-10,16H,1H3 |
| InChIKey | OCMQSXHIXALUQF-UHFFFAOYSA-N |
| Mol Weight | 267.28 g/mol |
| Molecular Formula | C16H13NO3 |
| Exact Mass | 267.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ZuEZBgVNMJ |
|---|---|
| Name | 3-Hydroxy-2-phenyl-1-isoindolinone, ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.089543280 u |
| Formula | C16H13NO3 |
| InChI | InChI=1S/C16H13NO3/c1-11(18)20-16-14-10-6-5-9-13(14)15(19)17(16)12-7-3-2-4-8-12/h2-10,16H,1H3 |
| InChIKey | OCMQSXHIXALUQF-UHFFFAOYSA-N |
| Molecular Weight | 267.284 g/mol |
| SMILES | C1(N(C(C2=C1C=CC=C2)OC(=O)C)C1=CC=CC=C1)=O |