| SpectraBase Spectrum ID |
CV7ONnvYZWZ |
| Name |
(E)-(S)-4-[(R)-2,2-Dimethyl-4-((2R,3S)-3-methyl-oxiranyl)-[1,3]dioxolan-4-yl]-but-3-en-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.136159120 u |
| Formula |
C12H20O4 |
| InChI |
InChI=1S/C12H20O4/c1-8(13)5-6-12(10-9(2)15-10)7-14-11(3,4)16-12/h5-6,8-10,13H,7H2,1-4H3/b6-5+/t8?,9-,10+,12+/m0/s1 |
| InChIKey |
UGEVULPFWCNIOJ-KWSASYNGSA-N |
| Molecular Weight |
228.288 g/mol |
| SMILES |
[C@@]1(O[C@]1(C)[H])([C@@]1(OC(C)(C)OC1)\C=C\C(O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898656 |
![(E)-(S)-4-[(R)-2,2-Dimethyl-4-((2R,3S)-3-methyl-oxiranyl)-[1,3]dioxolan-4-yl]-but-3-en-2-ol](/api/spectrum/CV7ONnvYZWZ/structure.png?h=300&w=458 "(E)-(S)-4-[(R)-2,2-Dimethyl-4-((2R,3S)-3-methyl-oxiranyl)-[1,3]dioxolan-4-yl]-but-3-en-2-ol")
