| SpectraBase Compound ID | DX8fPcDT2lx |
|---|---|
| InChI | InChI=1S/C16H16/c1-2-4-11(5-3-1)14-8-9-15-12-6-7-13(10-12)16(14)15/h1-8,12-13,15-16H,9-10H2/t12-,13+,15-,16-/m1/s1 |
| InChIKey | GNQXMPSPMMWTKI-OCVGTWLNSA-N |
| Mol Weight | 208.3 g/mol |
| Molecular Formula | C16H16 |
| Exact Mass | 208.125201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KWW1G8mjmRD |
|---|---|
| Name | (+)-3-phenyldicyclopentadiene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.125200515 u |
| Formula | C16H16 |
| InChI | InChI=1S/C16H16/c1-2-4-11(5-3-1)14-8-9-15-12-6-7-13(10-12)16(14)15/h1-8,12-13,15-16H,9-10H2/t12-,13+,15-,16-/m1/s1 |
| InChIKey | GNQXMPSPMMWTKI-OCVGTWLNSA-N |
| Molecular Weight | 208.304 g/mol |
| SMILES | C1=C[C@@]2(C[C@@]1([H])[C@]1([C@]2([H])CC=C1C1=CC=CC=C1)[H])[H] |