| SpectraBase Spectrum ID |
57IDZbuKFYR |
| Name |
(2R,3S)-1,2-o-Isopropylidene-5-methyl-4-pentyne-1,2,3-triol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
170.094294308 u |
| Formula |
C9H14O3 |
| InChI |
InChI=1S/C9H14O3/c1-4-5-7(10)8-6-11-9(2,3)12-8/h7-8,10H,6H2,1-3H3/t7-,8+/m0/s1 |
| InChIKey |
LLISTPFJGLVNTP-JGVFFNPUSA-N |
| Molecular Weight |
170.208 g/mol |
| SMILES |
C1(O[C@](CO1)([C@](C#CC)(O)[H])[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837655 |
