| SpectraBase Compound ID | IybCNGNCpdM |
|---|---|
| InChI | InChI=1S/C8H16O2/c1-3-4-5-8(10)7(2)6-9/h8-10H,2-6H2,1H3/t8-/m0/s1 |
| InChIKey | CUQWCDTZDXLCAS-QMMMGPOBSA-N |
| Mol Weight | 144.21 g/mol |
| Molecular Formula | C8H16O2 |
| Exact Mass | 144.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7h6LlY3im9E |
|---|---|
| Name | (S)-2-exo-Methyleneheptane-1,3-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.115029753 u |
| Formula | C8H16O2 |
| InChI | InChI=1S/C8H16O2/c1-3-4-5-8(10)7(2)6-9/h8-10H,2-6H2,1H3/t8-/m0/s1 |
| InChIKey | CUQWCDTZDXLCAS-QMMMGPOBSA-N |
| Molecular Weight | 144.214 g/mol |
| SMILES | C(=C)([C@@](O)(CCCC)[H])CO |