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2-Docosenoic acid, 2,4,21,21-tetramethyl-, methyl ester, (E)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-Docosenoic acid, 2,4,21,21-tetramethyl-, methyl ester, (E)-
SpectraBase Compound ID 6Rbejuu9ikk
InChI InChI=1S/C27H52O2/c1-24(23-25(2)26(28)29-6)21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-27(3,4)5/h23-24H,7-22H2,1-6H3/b25-23+
InChIKey HBRMVKHSYFJDPI-WJTDDFOZSA-N
Mol Weight 408.7 g/mol
Molecular Formula C27H52O2
Exact Mass 408.396731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AkRNgEB580V
Name 2-Docosenoic acid, 2,4,21,21-tetramethyl-, methyl ester, (E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.396730912 u
Formula C27H52O2
InChI InChI=1S/C27H52O2/c1-24(23-25(2)26(28)29-6)21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-27(3,4)5/h23-24H,7-22H2,1-6H3/b25-23+
InChIKey HBRMVKHSYFJDPI-WJTDDFOZSA-N
Molecular Weight 408.711 g/mol
SMILES C(CCCCCCCCCCCCCCCC(C)(C)C)C(\C=C\(C(OC)=O)C)C