SpectraBase Compound ID | 2KZyo1fNP5E |
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InChI | InChI=1S/C13H9Cl/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2 |
InChIKey | FCPAQNZCCWBDSY-UHFFFAOYSA-N |
Mol Weight | 200.67 g/mol |
Molecular Formula | C13H9Cl |
Exact Mass | 200.039278 g/mol |
SpectraBase Spectrum ID | KEhGUZNNAP8 |
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Name | 2-Chlorofluorene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 200.039277990 u |
Formula | C13H9Cl |
InChI | InChI=1S/C13H9Cl/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2 |
InChIKey | FCPAQNZCCWBDSY-UHFFFAOYSA-N |
Molecular Weight | 200.668 g/mol |
SMILES | C=1C2=C(CC=3C=CC=CC23)C=C(Cl)C1 |
Spectrum/Structure Validation Score (Raman) | 0.787757 |