SpectraBase Compound ID | DImdz9sI9bn |
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InChI | InChI=1S/C14H12Cl2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10H,1H3 |
InChIKey | KTEARTXATWOYDB-UHFFFAOYSA-N |
Mol Weight | 251.16 g/mol |
Molecular Formula | C14H12Cl2 |
Exact Mass | 250.031606 g/mol |
SpectraBase Spectrum ID | GB9egTW2Pb3 |
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Name | Ethane, 1,1-bis(p-chlorophenyl)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 250.031605786 u |
Formula | C14H12Cl2 |
InChI | InChI=1S/C14H12Cl2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10H,1H3 |
InChIKey | KTEARTXATWOYDB-UHFFFAOYSA-N |
Molecular Weight | 251.156 g/mol |
SMILES | C1=C(C=CC(=C1)Cl)C(C)C1=CC=C(C=C1)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916594 |