| SpectraBase Compound ID | 46u1HGnlpA1 |
|---|---|
| InChI | InChI=1S/C8H16.C2H4O2/c1-7-5-3-4-6-8(7)2;1-2(3)4/h7-8H,3-6H2,1-2H3;1H3,(H,3,4) |
| InChIKey | IWBRLMWGZDXXMJ-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C10H20O2 |
| Exact Mass | 172.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3kDxOaeAOJ8 |
|---|---|
| Name | 2(3H)-Benzofuranone, hexahydro-3A,7A-dimethyl-, cis- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.146329882 u |
| Formula | C10H20O2 |
| InChI | InChI=1S/C8H16.C2H4O2/c1-7-5-3-4-6-8(7)2;1-2(3)4/h7-8H,3-6H2,1-2H3;1H3,(H,3,4) |
| InChIKey | IWBRLMWGZDXXMJ-UHFFFAOYSA-N |
| Molecular Weight | 172.268 g/mol |
| Nominal Mass | 172 u |
| SMILES | OC(=O)C.C1CCC(C(C1)C)C |