SpectraBase Spectrum ID |
FFyeJlnkD38 |
Name |
2-(Cyclopentylthio)fluorene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
266.112921754 u |
Formula |
C18H18S |
InChI |
InChI=1S/C18H18S/c1-4-8-17-13(5-1)11-14-12-16(9-10-18(14)17)19-15-6-2-3-7-15/h1,4-5,8-10,12,15H,2-3,6-7,11H2 |
InChIKey |
VFZJGCSNBMTIOO-UHFFFAOYSA-N |
Molecular Weight |
266.402 g/mol |
SMILES |
C=12C=C(C=CC1C=1C=CC=CC1C2)SC1CCCC1 |
Spectrum/Structure Validation Score (Raman) |
0.946833 |