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Methyl 8-methyl-8-hexacosenoate

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

Methyl 8-methyl-8-hexacosenoate
SpectraBase Compound ID CS8lHgwsZxJ
InChI InChI=1S/C28H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-27(2)25-22-19-20-23-26-28(29)30-3/h24H,4-23,25-26H2,1-3H3/b27-24+
InChIKey CYNPPGWZUVCDIB-SOYKGTTHSA-N
Mol Weight 422.7 g/mol
Molecular Formula C28H54O2
Exact Mass 422.412381 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ev9R33NmHSi
Name Methyl 8-methyl-8-hexacosenoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.412380977 u
Formula C28H54O2
InChI InChI=1S/C28H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-27(2)25-22-19-20-23-26-28(29)30-3/h24H,4-23,25-26H2,1-3H3/b27-24+
InChIKey CYNPPGWZUVCDIB-SOYKGTTHSA-N
Molecular Weight 422.738 g/mol
SMILES C(=O)(OC)CCCCCC\C(=C\CCCCCCCCCCCCCCCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948654