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Succinic acid, 4-(chloromethyl)benzyl pentyl ester

View entire compound with spectra: 1 FTIR

Succinic acid, 4-(chloromethyl)benzyl pentyl ester
SpectraBase Compound ID 8bc0f5inCCL
InChI InChI=1S/C17H23ClO4/c1-2-3-4-11-21-16(19)9-10-17(20)22-13-15-7-5-14(12-18)6-8-15/h5-8H,2-4,9-13H2,1H3
InChIKey VBFDAOHPKLSDLJ-UHFFFAOYSA-N
Mol Weight 326.82 g/mol
Molecular Formula C17H23ClO4
Exact Mass 326.128487 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6H3QmhQfEQ5
Name Succinic acid, 4-(chloromethyl)benzyl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.128486917 u
Formula C17H23ClO4
InChI InChI=1S/C17H23ClO4/c1-2-3-4-11-21-16(19)9-10-17(20)22-13-15-7-5-14(12-18)6-8-15/h5-8H,2-4,9-13H2,1H3
InChIKey VBFDAOHPKLSDLJ-UHFFFAOYSA-N
Molecular Weight 326.820 g/mol
SMILES C(CCC(OCC=1C=CC(=CC1)CCl)=O)(OCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930876