| SpectraBase Compound ID | JziC1r0zYTp |
|---|---|
| InChI | InChI=1S/C9H14/c1-7-5-8-3-2-4-9(8)6-7/h5,8-9H,2-4,6H2,1H3 |
| InChIKey | AGTSMWXHFWGLEY-UHFFFAOYSA-N |
| Mol Weight | 122.21 g/mol |
| Molecular Formula | C9H14 |
| Exact Mass | 122.10955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2EJidD0OpGL |
|---|---|
| Name | 5-Methyl-1,2,3,3A,4,6A-hexahydropentalene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 122.109550451 u |
| Formula | C9H14 |
| InChI | InChI=1S/C9H14/c1-7-5-8-3-2-4-9(8)6-7/h5,8-9H,2-4,6H2,1H3 |
| InChIKey | AGTSMWXHFWGLEY-UHFFFAOYSA-N |
| Molecular Weight | 122.211 g/mol |
| SMILES | C12C=C(CC2CCC1)C |