SpectraBase Compound ID | GBQnCwuyAOT |
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InChI | InChI=1S/C6H13Cl/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3 |
InChIKey | GLCIPJOIEVLTPR-UHFFFAOYSA-N |
Mol Weight | 120.62 g/mol |
Molecular Formula | C6H13Cl |
Exact Mass | 120.070578 g/mol |
SpectraBase Spectrum ID | NJG0We1PCI |
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Name | 2-Chlorohexane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 120.070578119 u |
Formula | C6H13Cl |
InChI | InChI=1S/C6H13Cl/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3 |
InChIKey | GLCIPJOIEVLTPR-UHFFFAOYSA-N |
Molecular Weight | 120.623 g/mol |
SMILES | CCCCC(C)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925723 |