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Succinic acid, butyl 2-chloropropyl ester

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

Succinic acid, butyl 2-chloropropyl ester
SpectraBase Compound ID Af2v94Cyey9
InChI InChI=1S/C11H19ClO4/c1-3-4-7-15-10(13)5-6-11(14)16-8-9(2)12/h9H,3-8H2,1-2H3
InChIKey TUQSZQVARNKNCQ-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 5AXD85o4zwt
Name Succinic acid, butyl 2-chloropropyl 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/c1-3-4-7-15-10(13)5-6-11(14)16-8-9(2)12/h9H,3-8H2,1-2H3
InChIKey TUQSZQVARNKNCQ-UHFFFAOYSA-N
Molecular Weight 250.722 g/mol
SMILES C(OCC(C)Cl)(CCC(OCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.837427