| SpectraBase Compound ID | 8CCIJAaqK0a |
|---|---|
| InChI | InChI=1S/C13H14O2/c1-2-6-12(14)13(15)10-9-11-7-4-3-5-8-11/h2-5,7-8,12-15H,1,6H2/t12-,13-/m0/s1 |
| InChIKey | DJCGMSLPAHGDIX-STQMWFEESA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C13H14O2 |
| Exact Mass | 202.09938 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5HHUPwp52WA |
|---|---|
| Name | (3S,4S)-1-Phenylhept-6-en-1-yne-3,4-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H14O2 |
| InChI | InChI=1S/C13H14O2/c1-2-6-12(14)13(15)10-9-11-7-4-3-5-8-11/h2-5,7-8,12-15H,1,6H2/t12-,13-/m0/s1 |
| InChIKey | DJCGMSLPAHGDIX-STQMWFEESA-N |
| Molecular Weight | 202.253 g/mol |
| SMILES | O[C@]([C@](C#Cc1ccccc1)(O)[H])(CC=C)[H] |
| SPLASH | splash10-0fur-3900000000-be32d430d4f1f411cb34 |
| Source of Spectrum | KC-0-2909-10 |
| Wiley ID | 826392 |