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Pimelic acid, 4-heptyl dodecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 4-heptyl dodecyl ester
SpectraBase Compound ID 2K4sq9wzPv8
InChI InChI=1S/C26H50O4/c1-4-7-8-9-10-11-12-13-14-18-23-29-25(27)21-16-15-17-22-26(28)30-24(19-5-2)20-6-3/h24H,4-23H2,1-3H3
InChIKey CFDVBWGWSQUTEC-UHFFFAOYSA-N
Mol Weight 426.7 g/mol
Molecular Formula C26H50O4
Exact Mass 426.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Ld0eUbkO44
Name Pimelic acid, 4-heptyl dodecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H50O4
InChI InChI=1S/C26H50O4/c1-4-7-8-9-10-11-12-13-14-18-23-29-25(27)21-16-15-17-22-26(28)30-24(19-5-2)20-6-3/h24H,4-23H2,1-3H3
InChIKey CFDVBWGWSQUTEC-UHFFFAOYSA-N
Molecular Weight 426.682 g/mol
SMILES C(CCCCCC(OC(CCC)CCC)=O)(OCCCCCCCCCCCC)=O
SPLASH splash10-0006-7901000000-9ffeb45f282282ca3941
Source of Spectrum TIPS-2022-828-0
Wiley ID 1822345