| SpectraBase Compound ID | H9qZTyesum0 |
|---|---|
| InChI | InChI=1S/C7H14O3/c1-3-6(9)7(10)4-5(2)8/h3,5-10H,1,4H2,2H3/t5-,6+,7-/m0/s1 |
| InChIKey | KLLWJJXMJAGFQB-XVMARJQXSA-N |
| Mol Weight | 146.19 g/mol |
| Molecular Formula | C7H14O3 |
| Exact Mass | 146.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DvaKJmTzRhK |
|---|---|
| Name | (2S,4S,5R)-Hept-6-en-2,3,5-triol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.094294308 u |
| Formula | C7H14O3 |
| InChI | InChI=1S/C7H14O3/c1-3-6(9)7(10)4-5(2)8/h3,5-10H,1,4H2,2H3/t5-,6+,7-/m0/s1 |
| InChIKey | KLLWJJXMJAGFQB-XVMARJQXSA-N |
| Molecular Weight | 146.186 g/mol |
| SMILES | C([C@@]([C@@](C=C)(O)[H])(O)[H])[C@@](O)(C)[H] |