| SpectraBase Compound ID | 7AeI7juSEB9 |
|---|---|
| InChI | InChI=1S/C9H16O2.C8H14O4/c10-3-4-11-9-6-7-1-2-8(9)5-7;1-4-11-7(9)6(3)8(10)12-5-2/h7-10H,1-6H2;6H,4-5H2,1-3H3/t7-,8+,9-;/m1./s1 |
| InChIKey | RXFXZCHQQONNON-RVKMJUHISA-N |
| Mol Weight | 330.42 g/mol |
| Molecular Formula | C17H30O6 |
| Exact Mass | 330.204239 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2WwZyQeLYDA |
|---|---|
| Name | nan |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.204238680 u |
| Formula | C17H30O6 |
| InChI | InChI=1S/C9H16O2.C8H14O4/c10-3-4-11-9-6-7-1-2-8(9)5-7;1-4-11-7(9)6(3)8(10)12-5-2/h7-10H,1-6H2;6H,4-5H2,1-3H3/t7-,8+,9-;/m1./s1 |
| InChIKey | RXFXZCHQQONNON-RVKMJUHISA-N |
| Molecular Weight | 330.421 g/mol |
| Nominal Mass | 330 u |
| SMILES | CC(C(=O)OCC)C(=O)OCC.OCCO[C@@]1(C[C@@]2(CC[C@]1(C2)[H])[H])[H] |