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Succinic acid, monooctadecyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

Succinic acid, monooctadecyl ester
SpectraBase Compound ID 9xYoog9nRpL
InChI InChI=1S/C22H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24/h2-20H2,1H3,(H,23,24)
InChIKey NNFVBMSZYDDWSM-UHFFFAOYSA-N
Mol Weight 370.6 g/mol
Molecular Formula C22H42O4
Exact Mass 370.30831 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 3tEn7ZAWlQL
Name Succinic acid, monooctadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.308309828 u
Formula C22H42O4
InChI InChI=1S/C22H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24/h2-20H2,1H3,(H,23,24)
InChIKey NNFVBMSZYDDWSM-UHFFFAOYSA-N
Molecular Weight 370.574 g/mol
SMILES OC(CCC(OCCCCCCCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Raman) 0.970999