| SpectraBase Spectrum ID |
7D3Y8fR1eYz |
| Name |
1-Pentanone, 1-(2,4,6-cycloheptatrien-1-yl)-5-[(3-phenyl-2-propenyl)thio]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.154786566 u |
| Formula |
C21H24OS |
| InChI |
InChI=1S/C21H24OS/c22-21(20-14-6-1-2-7-15-20)16-8-9-17-23-18-10-13-19-11-4-3-5-12-19/h1-7,10-15,20H,8-9,16-18H2/b13-10+ |
| InChIKey |
BJLLYVKWBJYXBX-JLHYYAGUSA-N |
| Molecular Weight |
324.482 g/mol |
| SMILES |
C(C1C=CC=CC=C1)(=O)CCCCSC\C=C\C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977546 |
![1-Pentanone, 1-(2,4,6-cycloheptatrien-1-yl)-5-[(3-phenyl-2-propenyl)thio]-](/api/spectrum/7D3Y8fR1eYz/structure.png?h=300&w=458 "1-Pentanone, 1-(2,4,6-cycloheptatrien-1-yl)-5-[(3-phenyl-2-propenyl)thio]-")
