| SpectraBase Spectrum ID |
EXjqcutRQG8 |
| Name |
1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-(1-hydroxy-2-cyclohexen-1-yl)-4-methyl-, [2.alpha.,4.beta.(S*)]-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.128965739 u |
| Formula |
C14H22O3S |
| InChI |
InChI=1S/C14H22O3S/c1-12(2,3)11-17-10(15)13(4,18-11)14(16)8-6-5-7-9-14/h6,8,11,16H,5,7,9H2,1-4H3 |
| InChIKey |
FAPYMPZUJRNJQB-UHFFFAOYSA-N |
| Molecular Weight |
270.387 g/mol |
| SMILES |
C1CC=CC(C1)(O)C1(C(=O)OC(S1)C(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948809 |
![1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-(1-hydroxy-2-cyclohexen-1-yl)-4-methyl-, [2.alpha.,4.beta.(S*)]-(.+-.)-](/api/spectrum/EXjqcutRQG8/structure.png?h=300&w=458 "1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-(1-hydroxy-2-cyclohexen-1-yl)-4-methyl-, [2.alpha.,4.beta.(S*)]-(.+-.)-")
