| SpectraBase Compound ID | JM6SMA3hVW4 |
|---|---|
| InChI | InChI=1S/C12H14/c1-2-6-12-8-4-3-7-11(12,5-1)9-10-12/h1-2,5-6,9-10H,3-4,7-8H2/t11-,12+ |
| InChIKey | PATIUEOBXCLCSQ-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C12H14 |
| Exact Mass | 158.10955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6JMCEwUQ990 |
|---|---|
| Name | 4A,8A-Ethenonaphthalene, 1,2,3,4-tetrahydro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.109550451 u |
| Formula | C12H14 |
| InChI | InChI=1S/C12H14/c1-2-6-12-8-4-3-7-11(12,5-1)9-10-12/h1-2,5-6,9-10H,3-4,7-8H2 |
| InChIKey | PATIUEOBXCLCSQ-UHFFFAOYSA-N |
| Molecular Weight | 158.244 g/mol |
| SMILES | [C@@]123[C@@](C=C3)(C=CC=C1)CCCC2 |