| SpectraBase Compound ID | DPCukhe2q5h |
|---|---|
| InChI | InChI=1S/C20H17NO3/c22-19-10-15(11-20(23)24-19)17-13-21(12-14-6-2-1-3-7-14)18-9-5-4-8-16(17)18/h1-9,13,15H,10-12H2 |
| InChIKey | XPTBUUUZSOTIAF-UHFFFAOYSA-N |
| Mol Weight | 319.36 g/mol |
| Molecular Formula | C20H17NO3 |
| Exact Mass | 319.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LYEruplaPta |
|---|---|
| Name | 4-(1-Benzylindol-3-yl)oxane-2,6-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.120843408 u |
| Formula | C20H17NO3 |
| InChI | InChI=1S/C20H17NO3/c22-19-10-15(11-20(23)24-19)17-13-21(12-14-6-2-1-3-7-14)18-9-5-4-8-16(17)18/h1-9,13,15H,10-12H2 |
| InChIKey | XPTBUUUZSOTIAF-UHFFFAOYSA-N |
| Molecular Weight | 319.360 g/mol |
| SMILES | C=1N(C2=C(C1C1CC(=O)OC(C1)=O)C=CC=C2)CC=1C=CC=CC1 |