| SpectraBase Compound ID | 2he9DZuANmN |
|---|---|
| InChI | InChI=1S/C16H16ClN/c1-2-8-15(13-9-4-3-5-10-13)18-16-12-7-6-11-14(16)17/h2-7,9-12,15,18H,1,8H2 |
| InChIKey | DKBSXPUTJJLJAD-UHFFFAOYSA-N |
| Mol Weight | 257.76 g/mol |
| Molecular Formula | C16H16ClN |
| Exact Mass | 257.097127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IOX0Xp3UBiU |
|---|---|
| Name | 2-Chloro-N-(1-phenylbut-3-enyl)aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.097127219 u |
| Formula | C16H16ClN |
| InChI | InChI=1S/C16H16ClN/c1-2-8-15(13-9-4-3-5-10-13)18-16-12-7-6-11-14(16)17/h2-7,9-12,15,18H,1,8H2 |
| InChIKey | DKBSXPUTJJLJAD-UHFFFAOYSA-N |
| Molecular Weight | 257.764 g/mol |
| SMILES | C=1(NC(CC=C)C=2C=CC=CC2)C(=CC=CC1)Cl |