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Trans-(1S,2R)-1,2-dihydroxy-3-chlorocyclohexa-3,5-diene
SpectraBase Compound ID 5z5YNDLoczb
InChI InChI=1S/C6H7ClO2/c7-4-2-1-3-5(8)6(4)9/h1-3,5-6,8-9H/t5-,6-/m0/s1
InChIKey CEKJBAXHIQWXBY-WDSKDSINSA-N
Mol Weight 146.57 g/mol
Molecular Formula C6H7ClO2
Exact Mass 146.013457 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I899MU2NAuZ
Name Trans-(1S,2R)-1,2-dihydroxy-3-chlorocyclohexa-3,5-diene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 146.013457163 u
Formula C6H7ClO2
InChI InChI=1S/C6H7ClO2/c7-4-2-1-3-5(8)6(4)9/h1-3,5-6,8-9H/t5-,6-/m0/s1
InChIKey CEKJBAXHIQWXBY-WDSKDSINSA-N
Molecular Weight 146.573 g/mol
SMILES [C@]1(C(=CC=C[C@@]1(O)[H])Cl)(O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809432