| SpectraBase Compound ID | 6Fz87BaUWKG |
|---|---|
| InChI | InChI=1S/C12H11NO2/c1-8-3-5-10(6-4-8)13-12-9(2)7-11(14)15-12/h3-7H,1-2H3/b13-12- |
| InChIKey | XMVQRAXDCUNBMS-SEYXRHQNSA-N |
| Mol Weight | 201.22 g/mol |
| Molecular Formula | C12H11NO2 |
| Exact Mass | 201.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LDDNWTVLwv2 |
|---|---|
| Name | N-(4-Tolyl)isocitraconimide, beta-form |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.078978596 u |
| Formula | C12H11NO2 |
| InChI | InChI=1S/C12H11NO2/c1-8-3-5-10(6-4-8)13-12-9(2)7-11(14)15-12/h3-7H,1-2H3/b13-12- |
| InChIKey | XMVQRAXDCUNBMS-SEYXRHQNSA-N |
| Molecular Weight | 201.225 g/mol |
| Nominal Mass | 201 u |
| SMILES | C1(O\C(C(=C1)C)=N\C1=CC=C(C=C1)C)=O |