For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Malonic acid, 2,4-dimethylpent-3-yl heptadecyl ester

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

Malonic acid, 2,4-dimethylpent-3-yl heptadecyl ester
SpectraBase Compound ID Fi3x7py5aF8
InChI InChI=1S/C27H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-25(28)22-26(29)31-27(23(2)3)24(4)5/h23-24,27H,6-22H2,1-5H3
InChIKey ZVMUTDVUFCGMEE-UHFFFAOYSA-N
Mol Weight 440.7 g/mol
Molecular Formula C27H52O4
Exact Mass 440.38656 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LgE46PrZYXm
Name Malonic acid, 2,4-dimethylpent-3-yl heptadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.386560150 u
Formula C27H52O4
InChI InChI=1S/C27H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-25(28)22-26(29)31-27(23(2)3)24(4)5/h23-24,27H,6-22H2,1-5H3
InChIKey ZVMUTDVUFCGMEE-UHFFFAOYSA-N
Molecular Weight 440.709 g/mol
SMILES C(C(OC(C(C)C)C(C)C)=O)C(OCCCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.850325