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Succinic acid, cycloheptyl octadecyl ester

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

Succinic acid, cycloheptyl octadecyl ester
SpectraBase Compound ID 5J8OV8hJP6B
InChI InChI=1S/C29H54O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-26-32-28(30)24-25-29(31)33-27-22-19-16-17-20-23-27/h27H,2-26H2,1H3
InChIKey VMBRTHJLEOTQJZ-UHFFFAOYSA-N
Mol Weight 466.7 g/mol
Molecular Formula C29H54O4
Exact Mass 466.40221 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8DGinyihx8G
Name Succinic acid, cycloheptyl octadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.402210215 u
Formula C29H54O4
InChI InChI=1S/C29H54O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-26-32-28(30)24-25-29(31)33-27-22-19-16-17-20-23-27/h27H,2-26H2,1H3
InChIKey VMBRTHJLEOTQJZ-UHFFFAOYSA-N
Molecular Weight 466.747 g/mol
SMILES C(CCCCCOC(CCC(OC1CCCCCC1)=O)=O)CCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.896112