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3-Methyl-1,3-O-dihexadecanoyl-butanediol
SpectraBase Compound ID LT7AtDRMexP
InChI InChI=1S/C37H72O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(38)40-34-33-37(3,4)41-36(39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-34H2,1-4H3
InChIKey AKECNRVKFLPJOL-UHFFFAOYSA-N
Mol Weight 581.0 g/mol
Molecular Formula C37H72O4
Exact Mass 580.543061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6b88bsWojdr
Name 3-Methyl-1,3-O-dihexadecanoyl-butanediol
Alternate Name(s) 1,1-Dimethyl-3-(palmitoyloxy)propyl palmitate
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Formula C37H72O4
InChI InChI=1S/C37H72O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(38)40-34-33-37(3,4)41-36(39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-34H2,1-4H3
InChIKey AKECNRVKFLPJOL-UHFFFAOYSA-N
Molecular Weight 580.979 g/mol
SMILES C(OC(CCOC(=O)CCCCCCCCCCCCCCC)(C)C)(=O)CCCCCCCCCCCCCCC
SPLASH splash10-014i-9000000000-bf450062b0f6b745f480
Source of Spectrum EP-5351-0-0
Wiley ID 1408535