| SpectraBase Compound ID | 6v4NPvMprdp |
|---|---|
| InChI | InChI=1S/C11H18O2/c1-3-5-6-7-9-11(13)10(12)8-4-2/h4,10-13H,2-3,5-6,8H2,1H3/t10-,11-/m0/s1 |
| InChIKey | MRPGBJDMVLDERE-QWRGUYRKSA-N |
| Mol Weight | 182.26 g/mol |
| Molecular Formula | C11H18O2 |
| Exact Mass | 182.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Ha4nGlHklV |
|---|---|
| Name | (4S,5S)-Undec-1-en-6-yne-4,5-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.130679818 u |
| Formula | C11H18O2 |
| InChI | InChI=1S/C11H18O2/c1-3-5-6-7-9-11(13)10(12)8-4-2/h4,10-13H,2-3,5-6,8H2,1H3/t10-,11-/m0/s1 |
| InChIKey | MRPGBJDMVLDERE-QWRGUYRKSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | C(#CCCCC)[C@@]([C@@](O)(CC=C)[H])(O)[H] |