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Succinic acid, 2-chloropropyl isobutyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Succinic acid, 2-chloropropyl isobutyl ester
SpectraBase Compound ID 8XguV33guZW
InChI InChI=1S/C11H19ClO4/c1-8(2)6-15-10(13)4-5-11(14)16-7-9(3)12/h8-9H,4-7H2,1-3H3
InChIKey SLQQAJCFLZYRKR-UHFFFAOYSA-N
Mol Weight 250.72 g/mol
Molecular Formula C11H19ClO4
Exact Mass 250.097187 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6VNKDJgwaty
Name Succinic acid, 2-chloropropyl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.097186788 u
Formula C11H19ClO4
InChI InChI=1S/C11H19ClO4/c1-8(2)6-15-10(13)4-5-11(14)16-7-9(3)12/h8-9H,4-7H2,1-3H3
InChIKey SLQQAJCFLZYRKR-UHFFFAOYSA-N
Molecular Weight 250.722 g/mol
SMILES C(OCC(C)Cl)(CCC(OCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967402