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Pimelic acid, 3-methylbut-2-yl tridecyl ester
SpectraBase Compound ID 2ntRE846Fbx
InChI InChI=1S/C25H48O4/c1-5-6-7-8-9-10-11-12-13-14-18-21-28-24(26)19-16-15-17-20-25(27)29-23(4)22(2)3/h22-23H,5-21H2,1-4H3
InChIKey WKBFGFICGOMPSZ-UHFFFAOYSA-N
Mol Weight 412.7 g/mol
Molecular Formula C25H48O4
Exact Mass 412.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4dSmECrZxV
Name Pimelic acid, 3-methylbut-2-yl tridecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H48O4
InChI InChI=1S/C25H48O4/c1-5-6-7-8-9-10-11-12-13-14-18-21-28-24(26)19-16-15-17-20-25(27)29-23(4)22(2)3/h22-23H,5-21H2,1-4H3
InChIKey WKBFGFICGOMPSZ-UHFFFAOYSA-N
Molecular Weight 412.655 g/mol
SMILES C(CCCCCC(OC(C(C)C)C)=O)(OCCCCCCCCCCCCC)=O
SPLASH splash10-0006-7900000000-043896ee255ac374eb07
Source of Spectrum TIPS-2022-1008-0
Wiley ID 1822525