| SpectraBase Compound ID | 7injZGFy3m8 |
|---|---|
| InChI | InChI=1S/C13H15NO2/c1-9(2)7-8-14-11-6-4-3-5-10(11)12(15)13(14)16/h3-6,9H,7-8H2,1-2H3 |
| InChIKey | IXZVZVSXNXWRBG-UHFFFAOYSA-N |
| Mol Weight | 217.27 g/mol |
| Molecular Formula | C13H15NO2 |
| Exact Mass | 217.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IOinl9S5RaA |
|---|---|
| Name | Isatin, N-(3-methylbutyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.110278725 u |
| Formula | C13H15NO2 |
| InChI | InChI=1S/C13H15NO2/c1-9(2)7-8-14-11-6-4-3-5-10(11)12(15)13(14)16/h3-6,9H,7-8H2,1-2H3 |
| InChIKey | IXZVZVSXNXWRBG-UHFFFAOYSA-N |
| Molecular Weight | 217.268 g/mol |
| SMILES | C1=CC=C2C(=C1)N(CCC(C)C)C(C2=O)=O |