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Succinic acid, 4-(chloromethyl)benzyl propyl ester

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Succinic acid, 4-(chloromethyl)benzyl propyl ester
SpectraBase Compound ID 7tfJvk7CZ5q
InChI InChI=1S/C15H19ClO4/c1-2-9-19-14(17)7-8-15(18)20-11-13-5-3-12(10-16)4-6-13/h3-6H,2,7-11H2,1H3
InChIKey RSQGZQBQKNJXJS-UHFFFAOYSA-N
Mol Weight 298.77 g/mol
Molecular Formula C15H19ClO4
Exact Mass 298.097187 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GT05FcOnwU4
Name Succinic acid, 4-(chloromethyl)benzyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.097186788 u
Formula C15H19ClO4
InChI InChI=1S/C15H19ClO4/c1-2-9-19-14(17)7-8-15(18)20-11-13-5-3-12(10-16)4-6-13/h3-6H,2,7-11H2,1H3
InChIKey RSQGZQBQKNJXJS-UHFFFAOYSA-N
SMILES C(CCC(OCC=1C=CC(=CC1)CCl)=O)(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924937