![(S,R)-2-[(1'-methylheptyl)oxymethyl]-5-oxotetrahydrofuran](/api/spectrum/AOPDrgSBYd5/structure.png?h=300&w=458 "(S,R)-2-[(1'-methylheptyl)oxymethyl]-5-oxotetrahydrofuran")
| SpectraBase Compound ID | 6s02nDY7CBl |
|---|---|
| InChI | InChI=1S/C13H24O3/c1-3-4-5-6-7-11(2)15-10-12-8-9-13(14)16-12/h11-12H,3-10H2,1-2H3/t11-,12+/m1/s1 |
| InChIKey | DFGORORBAXZRSB-NEPJUHHUSA-N |
| Mol Weight | 228.33 g/mol |
| Molecular Formula | C13H24O3 |
| Exact Mass | 228.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AOPDrgSBYd5 |
|---|---|
| Name | (S,R)-2-[(1'-Methylheptyl)oxymethyl]-5-oxotetrahydrofuran |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.172544630 u |
| Formula | C13H24O3 |
| InChI | InChI=1S/C13H24O3/c1-3-4-5-6-7-11(2)15-10-12-8-9-13(14)16-12/h11-12H,3-10H2,1-2H3/t11-,12+/m1/s1 |
| InChIKey | DFGORORBAXZRSB-NEPJUHHUSA-N |
| Molecular Weight | 228.332 g/mol |
| SMILES | C1(O[C@](CO[C@@](CCCCCC)(C)[H])(CC1)[H])=O |