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Pimelic acid, 3-methylbut-2-yl hexadecyl ester
SpectraBase Compound ID 5vDk34orMuH
InChI InChI=1S/C28H54O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-31-27(29)22-19-18-20-23-28(30)32-26(4)25(2)3/h25-26H,5-24H2,1-4H3
InChIKey XBWFLBGBXBGHHD-UHFFFAOYSA-N
Mol Weight 454.7 g/mol
Molecular Formula C28H54O4
Exact Mass 454.40221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IHaZaeuYGTs
Name Pimelic acid, 3-methylbut-2-yl hexadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H54O4
InChI InChI=1S/C28H54O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-31-27(29)22-19-18-20-23-28(30)32-26(4)25(2)3/h25-26H,5-24H2,1-4H3
InChIKey XBWFLBGBXBGHHD-UHFFFAOYSA-N
Molecular Weight 454.736 g/mol
SMILES C(CCCCCC(OC(C(C)C)C)=O)(OCCCCCCCCCCCCCCCC)=O
SPLASH splash10-0006-7900000000-410f274581f9ffccba6f
Source of Spectrum TIPS-2022-1011-0
Wiley ID 1822528