| SpectraBase Compound ID | LO9hFgkVFnW |
|---|---|
| InChI | InChI=1S/C8H10O3.C4H10/c9-8-6-3-1-2-4-7(6)10-5-11-8;1-4(2)3/h1-5H2;4H,1-3H3 |
| InChIKey | TXXNSLRTDOQRBM-UHFFFAOYSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C12H20O3 |
| Exact Mass | 212.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FhlroPshC2Z |
|---|---|
| Name | nan |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.141244501 u |
| Formula | C12H20O3 |
| InChI | InChI=1S/C8H10O3.C4H10/c9-8-6-3-1-2-4-7(6)10-5-11-8;1-4(2)3/h1-5H2;4H,1-3H3 |
| InChIKey | TXXNSLRTDOQRBM-UHFFFAOYSA-N |
| Molecular Weight | 212.289 g/mol |
| Nominal Mass | 212 u |
| SMILES | C(C)(C)C.C=12CCCCC1C(=O)OCO2 |