| SpectraBase Spectrum ID |
G5Ih3oKHZWF |
| Name |
(4-Chlorophenyl)(2-(phenylthio)cyclopent-1-en-1-yl)methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.053213976 u |
| Formula |
C18H15ClOS |
| InChI |
InChI=1S/C18H15ClOS/c19-14-11-9-13(10-12-14)18(20)16-7-4-8-17(16)21-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8H2 |
| InChIKey |
SDXQWMJMBMNCDF-UHFFFAOYSA-N |
| Molecular Weight |
314.830 g/mol |
| SMILES |
C=1(CCCC1SC=1C=CC=CC1)C(=O)C1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904275 |
