| SpectraBase Spectrum ID |
2zdmgAoxGzw |
| Name |
3-Phenyl-4-(phenylthio)-3-hexene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.128571818 u |
| Formula |
C18H20S |
| InChI |
InChI=1S/C18H20S/c1-3-17(15-11-7-5-8-12-15)18(4-2)19-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3/b18-17- |
| InChIKey |
URFGEGLSXZBWOT-ZCXUNETKSA-N |
| Molecular Weight |
268.418 g/mol |
| SMILES |
C=1(\C(=C\(SC2=CC=CC=C2)CC)CC)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816813 |
