| SpectraBase Spectrum ID |
LnwWZYwCGrl |
| Name |
(S)-3-hex-1-Ynylnon-4-yne-2,3-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.177630011 u |
| Formula |
C15H24O2 |
| InChI |
InChI=1S/C15H24O2/c1-4-6-8-10-12-15(17,14(3)16)13-11-9-7-5-2/h14,16-17H,4-9H2,1-3H3/t14-/m0/s1 |
| InChIKey |
SZCNBTQOQCHXJR-AWEZNQCLSA-N |
| Molecular Weight |
236.355 g/mol |
| SMILES |
C(O)(C#CCCCC)(C#CCCCC)[C@@](O)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965509 |
