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Octadecanoic acid, 1-methyl-1,3-propanediyl ester
SpectraBase Compound ID 8Fo36pGZlAn
InChI InChI=1S/C40H78O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39(41)43-37-36-38(3)44-40(42)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h38H,4-37H2,1-3H3
InChIKey XTQUSEDRZLDHRC-UHFFFAOYSA-N
Mol Weight 623.1 g/mol
Molecular Formula C40H78O4
Exact Mass 622.590011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Twii0nbgJz
Name Octadecanoic acid, 1-methyl-1,3-propanediyl ester
Alternate Name(s) 1-Methyl-3-(stearoyloxy)propyl stearate 3-Octadecanoyloxybutyl octadecanoate Octadecanoic acid 3-(1-oxooctadecoxy)butyl ester stearic acid 3-stearoyloxybutyl ester Stearic acid, 1-methyltrimethylene ester
CAS Registry Number 14251-40-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H78O4
InChI InChI=1S/C40H78O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39(41)43-37-36-38(3)44-40(42)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h38H,4-37H2,1-3H3
InChIKey XTQUSEDRZLDHRC-UHFFFAOYSA-N
Molecular Weight 623.060 g/mol
SMILES C(C(OC(CCCCCCCCCCCCCCCCC)=O)C)COC(CCCCCCCCCCCCCCCCC)=O
SPLASH splash10-052r-9425000000-28ee73b81e9680b6b8bc
Source of Spectrum EP-5095-0-0
Wiley ID 1411699