| SpectraBase Compound ID | UqGIJoHFV4 |
|---|---|
| InChI | InChI=1S/C17H21N/c1-2-3-13-18-17-12-8-7-11-16(17)14-15-9-5-4-6-10-15/h4-12,18H,2-3,13-14H2,1H3 |
| InChIKey | MFMHXMDZRGLPEL-UHFFFAOYSA-N |
| Mol Weight | 239.36 g/mol |
| Molecular Formula | C17H21N |
| Exact Mass | 239.1674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hb1BvmERXfn |
|---|---|
| Name | 2-Benzyl-N-butylaniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.167399680 u |
| Formula | C17H21N |
| InChI | InChI=1S/C17H21N/c1-2-3-13-18-17-12-8-7-11-16(17)14-15-9-5-4-6-10-15/h4-12,18H,2-3,13-14H2,1H3 |
| InChIKey | MFMHXMDZRGLPEL-UHFFFAOYSA-N |
| Molecular Weight | 239.362 g/mol |
| SMILES | C=1(CC=2C=CC=CC2)C(NCCCC)=CC=CC1 |