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Phytyl eicosanoate
SpectraBase Compound ID 9xKloiC4Idm
InChI InChI=1S/C40H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33-40(41)42-35-34-39(6)32-26-31-38(5)30-25-29-37(4)28-24-27-36(2)3/h34,36-38H,7-33,35H2,1-6H3/b39-34+
InChIKey YFMVXAVIGSMESB-JQJRJOTLSA-N
Mol Weight 591.1 g/mol
Molecular Formula C40H78O2
Exact Mass 590.600182 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ASF6XzbzZdX
Name Phytyl eicosanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 590.600181750 u
Formula C40H78O2
InChI InChI=1S/C40H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33-40(41)42-35-34-39(6)32-26-31-38(5)30-25-29-37(4)28-24-27-36(2)3/h34,36-38H,7-33,35H2,1-6H3/b39-34+
InChIKey YFMVXAVIGSMESB-JQJRJOTLSA-N
Molecular Weight 591.062 g/mol
SMILES C(CCCCCCCCCCCCCCCCCCC)(=O)OC\C=C\(CCCC(CCCC(CCCC(C)C)C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.834872