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2-Chlorohexane
SpectraBase Compound ID GBQnCwuyAOT
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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID NJG0We1PCI
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