| SpectraBase Compound ID | 9ocpSHSRlAR |
|---|---|
| InChI | InChI=1S/C13H14O2/c1-2-12(14)13(15)10-6-9-11-7-4-3-5-8-11/h2-5,7-8,12-15H,1,10H2/t12-,13-/m0/s1 |
| InChIKey | BTQKHJBGILZKAC-STQMWFEESA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C13H14O2 |
| Exact Mass | 202.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6JAw3Tw3tNY |
|---|---|
| Name | (3S,4S)-7-Phenylhept-1-en-6-yne-3,4-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.099379689 u |
| Formula | C13H14O2 |
| InChI | InChI=1S/C13H14O2/c1-2-12(14)13(15)10-6-9-11-7-4-3-5-8-11/h2-5,7-8,12-15H,1,10H2/t12-,13-/m0/s1 |
| InChIKey | BTQKHJBGILZKAC-STQMWFEESA-N |
| Molecular Weight | 202.253 g/mol |
| SMILES | C(#CC=1C=CC=CC1)C[C@@]([C@](C=C)(O)[H])(O)[H] |