SpectraBase Compound ID | JPicrGIcDe2 |
---|---|
InChI | InChI=1S/C10H4Cl4O/c11-7-4-2-1-3-5(15)6(4)8(12)10(14)9(7)13/h1-3,15H |
InChIKey | ODGPKGZUDXMZSQ-UHFFFAOYSA-N |
Mol Weight | 282.0 g/mol |
Molecular Formula | C10H4Cl4O |
Exact Mass | 279.901626 g/mol |
SpectraBase Spectrum ID | FhNokTm0PmY |
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Name | 1-Naphthalenol, 5,6,7,8-tetrachloro- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 279.901625548 u |
Formula | C10H4Cl4O |
InChI | InChI=1S/C10H4Cl4O/c11-7-4-2-1-3-5(15)6(4)8(12)10(14)9(7)13/h1-3,15H |
InChIKey | ODGPKGZUDXMZSQ-UHFFFAOYSA-N |
Molecular Weight | 281.953 g/mol |
SMILES | C1(O)=CC=CC=2C(Cl)=C(Cl)C(Cl)=C(Cl)C12 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942847 |