| SpectraBase Compound ID | 24HQu2VQ0UV |
|---|---|
| InChI | InChI=1S/C7H8O2/c1-3-4-5-7(9)6(2)8/h1,6-9H,2H3/t6-,7+/m1/s1 |
| InChIKey | HCZNDDDSXXMRST-RQJHMYQMSA-N |
| Mol Weight | 124.14 g/mol |
| Molecular Formula | C7H8O2 |
| Exact Mass | 124.052429 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | ElvOYzlqTDU |
|---|---|
| Name | (2R,3S)-Hepta-4,6-diyne-2,3-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.052429496 u |
| Formula | C7H8O2 |
| InChI | InChI=1S/C7H8O2/c1-3-4-5-7(9)6(2)8/h1,6-9H,2H3/t6-,7+/m1/s1 |
| InChIKey | HCZNDDDSXXMRST-RQJHMYQMSA-N |
| Molecular Weight | 124.139 g/mol |
| SMILES | [C@](O)(C)([C@](C#CC#C)(O)[H])[H] |