| SpectraBase Compound ID | Fi1Di0LoanY |
|---|---|
| InChI | InChI=1S/C10H18O3/c1-7(12-8(2)11)5-6-9-10(3,4)13-9/h7,9H,5-6H2,1-4H3/t7-,9+/m0/s1 |
| InChIKey | SRWLXQUVWWVEDE-IONNQARKSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C10H18O3 |
| Exact Mass | 186.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9IbP3BvKiOG |
|---|---|
| Name | (2S,5R)-2-Acetoxy-6-methyl-5,6-epoxyheptane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.125594437 u |
| Formula | C10H18O3 |
| InChI | InChI=1S/C10H18O3/c1-7(12-8(2)11)5-6-9-10(3,4)13-9/h7,9H,5-6H2,1-4H3/t7-,9+/m0/s1 |
| InChIKey | SRWLXQUVWWVEDE-IONNQARKSA-N |
| Molecular Weight | 186.251 g/mol |
| SMILES | C1(O[C@@]1(CC[C@@](OC(=O)C)(C)[H])[H])(C)C |