![[(E)-7-chloranylhept-3-en-1-ynyl]benzene](/api/spectrum/49xICgUQPfC/structure.png?h=300&w=458 "[(E)-7-chloranylhept-3-en-1-ynyl]benzene")
| SpectraBase Compound ID | BdighocarOE |
|---|---|
| InChI | InChI=1S/C13H13Cl/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h1-2,4,6-7,10-11H,3,8,12H2/b2-1+ |
| InChIKey | QDGCUZSNGXGDOH-OWOJBTEDSA-N |
| Mol Weight | 204.7 g/mol |
| Molecular Formula | C13H13Cl |
| Exact Mass | 204.070578 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 49xICgUQPfC |
|---|---|
| Name | [(E)-7-Chloranylhept-3-en-1-ynyl]benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.070578119 u |
| Formula | C13H13Cl |
| InChI | InChI=1S/C13H13Cl/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h1-2,4,6-7,10-11H,3,8,12H2/b2-1+ |
| InChIKey | QDGCUZSNGXGDOH-OWOJBTEDSA-N |
| Molecular Weight | 204.700 g/mol |
| SMILES | C(#C\C=C\CCCCl)C=1C=CC=CC1 |