| SpectraBase Spectrum ID |
4WHIlGbiy1l |
| Name |
(2R*,3R*,4S*)-1,2-Epoxy-6-phenyl-5-hexyne-3,4-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
204.078644243 u |
| Formula |
C12H12O3 |
| InChI |
InChI=1S/C12H12O3/c13-10(12(14)11-8-15-11)7-6-9-4-2-1-3-5-9/h1-5,10-14H,8H2/t10-,11+,12+/m0/s1 |
| InChIKey |
BVBZGIPRGHKCJU-QJPTWQEYSA-N |
| Molecular Weight |
204.225 g/mol |
| SMILES |
[C@@]1(OC1)([C@@]([C@](C#CC1=CC=CC=C1)(O)[H])(O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87898 |
