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3,7-Dimethyloct-6-en-1-yl stearate

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

3,7-Dimethyloct-6-en-1-yl stearate
SpectraBase Compound ID 8Ad8yTcTRc9
InChI InChI=1S/C28H54O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(29)30-25-24-27(4)22-20-21-26(2)3/h21,27H,5-20,22-25H2,1-4H3
InChIKey UTULGKGDQRRQHR-UHFFFAOYSA-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 3x00R4NcFxs
Name 3,7-Dimethyloct-6-en-1-yl stearate
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/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(29)30-25-24-27(4)22-20-21-26(2)3/h21,27H,5-20,22-25H2,1-4H3
InChIKey UTULGKGDQRRQHR-UHFFFAOYSA-N
Molecular Weight 422.738 g/mol
SMILES C(CCCCCCCCCCCCCCCCC)(=O)OCCC(CCC=C(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936447