| SpectraBase Compound ID | DBp2tLho7LE |
|---|---|
| InChI | InChI=1S/C16H16IN/c1-18(16-12-6-5-11-15(16)17)13-7-10-14-8-3-2-4-9-14/h2-12H,13H2,1H3/b10-7+ |
| InChIKey | XDQADZOLXFHHTP-JXMROGBWSA-N |
| Mol Weight | 349.22 g/mol |
| Molecular Formula | C16H16IN |
| Exact Mass | 349.032745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6UuGCWrsyRg |
|---|---|
| Name | N-Cinnamyl-N-methyl-2-iodoaniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.032744519 u |
| Formula | C16H16IN |
| InChI | InChI=1S/C16H16IN/c1-18(16-12-6-5-11-15(16)17)13-7-10-14-8-3-2-4-9-14/h2-12H,13H2,1H3/b10-7+ |
| InChIKey | XDQADZOLXFHHTP-JXMROGBWSA-N |
| Molecular Weight | 349.215 g/mol |
| SMILES | C=1(N(C\C=C\C=2C=CC=CC2)C)C(I)=CC=CC1 |