| SpectraBase Compound ID | 9zzOk1eNH2F |
|---|---|
| InChI | InChI=1S/C13H18/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2-3,6,8-9,11-12H,4-5,7,10H2,1H3/b3-2+ |
| InChIKey | FIFNZEUTWPRNBN-NSCUHMNNSA-N |
| Mol Weight | 174.29 g/mol |
| Molecular Formula | C13H18 |
| Exact Mass | 174.140851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5bPeSqerZIT |
|---|---|
| Name | Benzene, 5-heptenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.140850580 u |
| Formula | C13H18 |
| InChI | InChI=1S/C13H18/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2-3,6,8-9,11-12H,4-5,7,10H2,1H3/b3-2+ |
| InChIKey | FIFNZEUTWPRNBN-NSCUHMNNSA-N |
| Molecular Weight | 174.287 g/mol |
| SMILES | C(CC1=CC=CC=C1)CC\C=C\C |