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(1R,2R)-cyclohex-4-ene-1,2-dicarbonyl chloride

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

(1R,2R)-cyclohex-4-ene-1,2-dicarbonyl chloride
SpectraBase Compound ID HOtLoscnROB
InChI InChI=1S/C8H8Cl2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-2,5-6H,3-4H2/t5-,6-/m1/s1
InChIKey MBKDZSVQKQTAGV-PHDIDXHHSA-N
Mol Weight 207.06 g/mol
Molecular Formula C8H8Cl2O2
Exact Mass 205.990135 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1rwXJbeWgAn
Name (1R,2R)-Cyclohex-4-ene-1,2-dicarbonyl chloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 205.990134896 u
Formula C8H8Cl2O2
InChI InChI=1S/C8H8Cl2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-2,5-6H,3-4H2/t5-,6-/m1/s1
InChIKey MBKDZSVQKQTAGV-PHDIDXHHSA-N
Molecular Weight 207.056 g/mol
SMILES [C@]1([C@](C(=O)Cl)(CC=CC1)[H])(C(=O)Cl)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969369