| SpectraBase Compound ID | I5lUGMBFWbJ |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-11(2)7-6-8-9(12)4-3-5-10(8)13-11/h3-7H2,1-2H3 |
| InChIKey | CJNBPLSUXNOMEN-UHFFFAOYSA-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 | LQBxXMUScvo |
|---|---|
| Name | 5H-1-Benzopyran-5-one, 2,3,4,6,7,8-hexahydro-2,2-dimethyl- |
| 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/c1-11(2)7-6-8-9(12)4-3-5-10(8)13-11/h3-7H2,1-2H3 |
| InChIKey | CJNBPLSUXNOMEN-UHFFFAOYSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | C1(C2=C(CCC1)OC(CC2)(C)C)=O |