| SpectraBase Compound ID | DQBkyrYG0DA |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-3-12(13)10(2)14-9-11-7-5-4-6-8-11/h1,4-8,10,12-13H,9H2,2H3/t10-,12+/m0/s1 |
| InChIKey | VMSDRUUHDPPWQT-CMPLNLGQSA-N |
| Mol Weight | 190.24 g/mol |
| Molecular Formula | C12H14O2 |
| Exact Mass | 190.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kmbea1YEYrn |
|---|---|
| Name | (3R,4S)-4-Benzyloxy-1-pentyn-3-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.099379689 u |
| Formula | C12H14O2 |
| InChI | InChI=1S/C12H14O2/c1-3-12(13)10(2)14-9-11-7-5-4-6-8-11/h1,4-8,10,12-13H,9H2,2H3/t10-,12+/m0/s1 |
| InChIKey | VMSDRUUHDPPWQT-CMPLNLGQSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C(#C)[C@]([C@@](OCC=1C=CC=CC1)(C)[H])(O)[H] |