| SpectraBase Spectrum ID |
L8AusizBjM4 |
| Name |
Methyl (1.beta.,3S*,6.beta.,8S*.)-4,8-dimethoxy-3-methyl-8-methylthiomethyl-7-oxobicyclo[4.2.0]oct-4-ene-3-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.118794977 u |
| Formula |
C15H22O5S |
| InChI |
InChI=1S/C15H22O5S/c1-14(13(17)19-3)7-10-9(6-11(14)18-2)12(16)15(10,20-4)8-21-5/h6,9-10H,7-8H2,1-5H3/t9-,10+,14-,15-/m0/s1 |
| InChIKey |
LUUKSYJHUNRRRR-OWLDWWDNSA-N |
| Molecular Weight |
314.396 g/mol |
| SMILES |
[C@@]1(C(=C[C@]2([C@]([C@@](OC)(CSC)C2=O)(C1)[H])[H])OC)(C(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930311 |
![Methyl (1.beta.,3S*,6.beta.,8S*.)-4,8-dimethoxy-3-methyl-8-methylthiomethyl-7-oxobicyclo[4.2.0]oct-4-ene-3-carboxylate](/api/spectrum/L8AusizBjM4/structure.png?h=300&w=458 "Methyl (1.beta.,3S*,6.beta.,8S*.)-4,8-dimethoxy-3-methyl-8-methylthiomethyl-7-oxobicyclo[4.2.0]oct-4-ene-3-carboxylate")
