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Succinic acid, cycloheptyl decyl ester

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

Succinic acid, cycloheptyl decyl ester
SpectraBase Compound ID 2uhbWibPy4S
InChI InChI=1S/C21H38O4/c1-2-3-4-5-6-7-10-13-18-24-20(22)16-17-21(23)25-19-14-11-8-9-12-15-19/h19H,2-18H2,1H3
InChIKey MWHWIUKVPVWWTE-UHFFFAOYSA-N
Mol Weight 354.5 g/mol
Molecular Formula C21H38O4
Exact Mass 354.27701 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Kv5T7kFeDil
Name Succinic acid, cycloheptyl decyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.277009700 u
Formula C21H38O4
InChI InChI=1S/C21H38O4/c1-2-3-4-5-6-7-10-13-18-24-20(22)16-17-21(23)25-19-14-11-8-9-12-15-19/h19H,2-18H2,1H3
InChIKey MWHWIUKVPVWWTE-UHFFFAOYSA-N
Molecular Weight 354.531 g/mol
SMILES CCCCCCCCCCOC(CCC(OC1CCCCCC1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.804259