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Succinic acid, 2-chlorocyclohexylmethyl ethyl ester
SpectraBase Compound ID DWt6Lk7knFQ
InChI InChI=1S/C13H21ClO4/c1-2-17-12(15)7-8-13(16)18-9-10-5-3-4-6-11(10)14/h10-11H,2-9H2,1H3
InChIKey XTAUCWXZZRSMEF-UHFFFAOYSA-N
Mol Weight 276.76 g/mol
Molecular Formula C13H21ClO4
Exact Mass 276.112837 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KOqmrHhVls2
Name Succinic acid, 2-chlorocyclohexylmethyl ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.112836852 u
Formula C13H21ClO4
InChI InChI=1S/C13H21ClO4/c1-2-17-12(15)7-8-13(16)18-9-10-5-3-4-6-11(10)14/h10-11H,2-9H2,1H3
InChIKey XTAUCWXZZRSMEF-UHFFFAOYSA-N
SMILES CCOC(CCC(OCC1C(CCCC1)Cl)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930216