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Succinic acid, 2-chlorophenethyl heptadecyl ester

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

Succinic acid, 2-chlorophenethyl heptadecyl ester
SpectraBase Compound ID C2HrQ4jew5f
InChI InChI=1S/C29H47ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-33-28(31)21-22-29(32)34-25-23-26-19-16-17-20-27(26)30/h16-17,19-20H,2-15,18,21-25H2,1H3
InChIKey UEBBVJWGRBZBLV-UHFFFAOYSA-N
Mol Weight 495.1 g/mol
Molecular Formula C29H47ClO4
Exact Mass 494.316288 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GynYBPPz8V3
Name Succinic acid, 2-chlorophenethyl heptadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.316287689 u
Formula C29H47ClO4
InChI InChI=1S/C29H47ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-33-28(31)21-22-29(32)34-25-23-26-19-16-17-20-27(26)30/h16-17,19-20H,2-15,18,21-25H2,1H3
InChIKey UEBBVJWGRBZBLV-UHFFFAOYSA-N
Molecular Weight 495.144 g/mol
SMILES C(CCC(OCCC1=C(C=CC=C1)Cl)=O)(OCCCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.820374