| SpectraBase Compound ID | Ig6w6ZsVros |
|---|---|
| InChI | InChI=1S/C18H21NO3/c1-11-4-6-12(7-5-11)10-19-15(20)17(2)13-8-9-14(22-13)18(17,3)16(19)21/h4-7,13-14H,8-10H2,1-3H3/t13?,14?,17-,18+ |
| InChIKey | KTXCGAHPGOSXIG-MLXTZYFGSA-N |
| Mol Weight | 299.37 g/mol |
| Molecular Formula | C18H21NO3 |
| Exact Mass | 299.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F6rMS6PQQsz |
|---|---|
| Name | N-(4'-Methylbenzyl)canthadin-imide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.152143537 u |
| Formula | C18H21NO3 |
| InChI | InChI=1S/C18H21NO3/c1-11-4-6-12(7-5-11)10-19-15(20)17(2)13-8-9-14(22-13)18(17,3)16(19)21/h4-7,13-14H,8-10H2,1-3H3/t13?,14?,17-,18+ |
| InChIKey | KTXCGAHPGOSXIG-MLXTZYFGSA-N |
| SMILES | [C@@]12([C@@](C(=O)N(C2=O)CC2=CC=C(C=C2)C)(C2OC1CC2)C)C |