| SpectraBase Compound ID | GDGjiOt2AXd |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-13-11(12)10-7-3-5-8-4-2-6-9(8)10/h3,5,8-10H,2,4,6-7H2,1H3/t8-,9+,10+/m0/s1 |
| InChIKey | DRCBJOYOGDOCNF-IVZWLZJFSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3L6wClPOvQQ |
|---|---|
| Name | Methyl 2,3,3A.beta.,4,5,7alpha.-hexahydroindene-4-.beta.-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.115029753 u |
| Formula | C11H16O2 |
| InChI | InChI=1S/C11H16O2/c1-13-11(12)10-7-3-5-8-4-2-6-9(8)10/h3,5,8-10H,2,4,6-7H2,1H3/t8-,9+,10+/m0/s1 |
| InChIKey | DRCBJOYOGDOCNF-IVZWLZJFSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | [C@@]1(C(=O)OC)([C@]2([C@](CCC2)([H])C=CC1)[H])[H] |