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1-Chloranyl-4-[(1S,2R)-2-chloranylcyclopropyl]benzene

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1-Chloranyl-4-[(1S,2R)-2-chloranylcyclopropyl]benzene
SpectraBase Compound ID 3yuHcWguutD
InChI InChI=1S/C9H8Cl2/c10-7-3-1-6(2-4-7)8-5-9(8)11/h1-4,8-9H,5H2/t8-,9+/m0/s1
InChIKey HTQWUKHKBFLOQW-DTWKUNHWSA-N
Mol Weight 187.07 g/mol
Molecular Formula C9H8Cl2
Exact Mass 186.000306 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IXdYNHsULAu
Name 1-Chloranyl-4-[(1S,2R)-2-chloranylcyclopropyl]benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 186.000305658 u
Formula C9H8Cl2
InChI InChI=1S/C9H8Cl2/c10-7-3-1-6(2-4-7)8-5-9(8)11/h1-4,8-9H,5H2/t8-,9+/m0/s1
InChIKey HTQWUKHKBFLOQW-DTWKUNHWSA-N
Molecular Weight 187.069 g/mol
SMILES [C@@]1(C[C@]1(Cl)[H])(C=1C=CC(=CC1)Cl)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944579