| SpectraBase Spectrum ID |
J6LanaD01ua |
| Name |
S-2,2-bis(4-Methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)vinylethanethioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.191565997 u |
| Formula |
C25H30O3S |
| InChI |
InChI=1S/C25H30O3S/c1-16(26)29-22(23-24(2,3)25(23,4)5)21(17-8-12-19(27-6)13-9-17)18-10-14-20(28-7)15-11-18/h8-15,23H,1-7H3 |
| InChIKey |
LGJSQQSWJAAGJH-UHFFFAOYSA-N |
| Molecular Weight |
410.572 g/mol |
| SMILES |
C1(C(C)(C)C1(C)C)C(=C(C1=CC=C(C=C1)OC)C=1C=CC(=CC1)OC)SC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907315 |
