| SpectraBase Compound ID | Irb4OVHReCp |
|---|---|
| InChI | InChI=1S/C12H17NO2/c1-3-4-7-10-8-5-6-9-11(10)13-12(14)15-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14) |
| InChIKey | ORNRAHMHWXEFNA-UHFFFAOYSA-N |
| Mol Weight | 207.27 g/mol |
| Molecular Formula | C12H17NO2 |
| Exact Mass | 207.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1iaPPVnfsUW |
|---|---|
| Name | 2-Butylaniline, N-methoxycarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.125928789 u |
| Formula | C12H17NO2 |
| InChI | InChI=1S/C12H17NO2/c1-3-4-7-10-8-5-6-9-11(10)13-12(14)15-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14) |
| InChIKey | ORNRAHMHWXEFNA-UHFFFAOYSA-N |
| Molecular Weight | 207.273 g/mol |
| SMILES | C(CCC)C1=C(NC(OC)=O)C=CC=C1 |