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4-Chloro-3,5-dioxypimelic acid - dimethyl ester

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4-Chloro-3,5-dioxypimelic acid - dimethyl ester
SpectraBase Compound ID llK6jUnGK3
InChI InChI=1S/C9H11ClO6/c1-15-7(13)3-5(11)9(10)6(12)4-8(14)16-2/h9H,3-4H2,1-2H3
InChIKey VZEYVLGWAXKAHA-UHFFFAOYSA-N
Mol Weight 250.63 g/mol
Molecular Formula C9H11ClO6
Exact Mass 250.024416 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 52y2fLJNF3K
Name 4-Chloro-3,5-dioxypimelic acid - dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.024415768 u
Formula C9H11ClO6
InChI InChI=1S/C9H11ClO6/c1-15-7(13)3-5(11)9(10)6(12)4-8(14)16-2/h9H,3-4H2,1-2H3
InChIKey VZEYVLGWAXKAHA-UHFFFAOYSA-N
Molecular Weight 250.634 g/mol
SMILES C(CC(=O)OC)(C(C(CC(=O)OC)=O)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.986514