![Benz[cd]indol-2(1H)-one, 1-[(benzoyloxy)methyl]-](/api/spectrum/5SwAOXppPNe/structure.png?h=300&w=458 "Benz[cd]indol-2(1H)-one, 1-[(benzoyloxy)methyl]-")
| SpectraBase Compound ID | FTJe5OUbB8o |
|---|---|
| InChI | InChI=1S/C19H13NO3/c21-18-15-10-4-8-13-9-5-11-16(17(13)15)20(18)12-23-19(22)14-6-2-1-3-7-14/h1-11H,12H2 |
| InChIKey | XCRIUDSVPLVCQF-UHFFFAOYSA-N |
| Mol Weight | 303.32 g/mol |
| Molecular Formula | C19H13NO3 |
| Exact Mass | 303.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5SwAOXppPNe |
|---|---|
| Name | Benz[cd]indol-2(1H)-one, 1-[(benzoyloxy)methyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.089543280 u |
| Formula | C19H13NO3 |
| InChI | InChI=1S/C19H13NO3/c21-18-15-10-4-8-13-9-5-11-16(17(13)15)20(18)12-23-19(22)14-6-2-1-3-7-14/h1-11H,12H2 |
| InChIKey | XCRIUDSVPLVCQF-UHFFFAOYSA-N |
| SMILES | C1(N(C2=C3C(C=CC=C13)=CC=C2)COC(=O)C1=CC=CC=C1)=O |