| SpectraBase Spectrum ID |
IJbntaDOIJX |
| Name |
Virginiae butanolide C |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.136159120 u |
| Formula |
C11H20O4 |
| InChI |
InChI=1S/C11H20O4/c1-2-3-4-5-9(13)10-8(6-12)7-15-11(10)14/h8-10,12-13H,2-7H2,1H3/t8-,9-,10-/m1/s1 |
| InChIKey |
ONFPUQOPHZOEKF-OPRDCNLKSA-N |
| Molecular Weight |
216.277 g/mol |
| SMILES |
C1([C@]([C@@](CO1)(CO)[H])([C@@](CCCCC)(O)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838386 |
