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Pimelic acid, dec-2-yl octyl ester
SpectraBase Compound ID 8bpXGPuJivZ
InChI InChI=1S/C25H48O4/c1-4-6-8-10-12-15-19-23(3)29-25(27)21-17-14-16-20-24(26)28-22-18-13-11-9-7-5-2/h23H,4-22H2,1-3H3
InChIKey IMAFDFWNVKUPMP-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 8q6h9VUeRqv
Name Pimelic acid, dec-2-yl octyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H48O4
InChI InChI=1S/C25H48O4/c1-4-6-8-10-12-15-19-23(3)29-25(27)21-17-14-16-20-24(26)28-22-18-13-11-9-7-5-2/h23H,4-22H2,1-3H3
InChIKey IMAFDFWNVKUPMP-UHFFFAOYSA-N
Molecular Weight 412.655 g/mol
SMILES C(CCCCCC(OC(CCCCCCCC)C)=O)(OCCCCCCCC)=O
SPLASH splash10-052f-7920000000-24ee54f8bf8755e393d6
Source of Spectrum TIPS-2022-928-0
Wiley ID 1822445