| SpectraBase Compound ID | 7qnLyRZNFez |
|---|---|
| InChI | InChI=1S/C13H17Cl/c1-12(8-4-3-7-11-14)13-9-5-2-6-10-13/h2,4-6,8-10,12H,3,7,11H2,1H3/b8-4+/t12-/m0/s1 |
| InChIKey | SQHYYIPXQJQYOJ-GXWOQWCDSA-N |
| Mol Weight | 208.73 g/mol |
| Molecular Formula | C13H17Cl |
| Exact Mass | 208.101878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B81RdX7gkE8 |
|---|---|
| Name | (S)-(E)-7-Chloro-2-phenyl-3-heptene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.101878247 u |
| Formula | C13H17Cl |
| InChI | InChI=1S/C13H17Cl/c1-12(8-4-3-7-11-14)13-9-5-2-6-10-13/h2,4-6,8-10,12H,3,7,11H2,1H3/b8-4+/t12-/m0/s1 |
| InChIKey | SQHYYIPXQJQYOJ-GXWOQWCDSA-N |
| Molecular Weight | 208.732 g/mol |
| SMILES | C(\C=C\[C@@](C=1C=CC=CC1)(C)[H])CCCl |