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Diethyl 2-(12-(1H-imidazol-1-yl)hexadecyl)malonate
SpectraBase Compound ID 4d40ggsX2Qh
InChI InChI=1S/C26H46N2O4/c1-4-7-17-23(28-21-20-27-22-28)18-15-13-11-9-8-10-12-14-16-19-24(25(29)31-5-2)26(30)32-6-3/h20-24H,4-19H2,1-3H3
InChIKey VNNBJEKWGKUKBQ-UHFFFAOYSA-N
Mol Weight 450.7 g/mol
Molecular Formula C26H46N2O4
Exact Mass 450.345758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgilpQRDOaN
Name Diethyl 2-(12-(1H-imidazol-1-yl)hexadecyl)malonate
Appearance Light brown coloured liquid
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Formula C26H46N2O4
InChI InChI=1S/C26H46N2O4/c1-4-7-17-23(28-21-20-27-22-28)18-15-13-11-9-8-10-12-14-16-19-24(25(29)31-5-2)26(30)32-6-3/h20-24H,4-19H2,1-3H3
InChIKey VNNBJEKWGKUKBQ-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 450.664 g/mol
SMILES C(CCCCCCCCCCC(CCCC)[n]1ccnc1)C(C(OCC)=O)C(=O)OCC
SPLASH splash10-014i-9000000000-f647da344adbdf7bfb1b
Source of Spectrum US20130203829A1
Thin-Layer Chromatography Rf = 0.63 (5% MeOH in DCM, Iodine and KMnO4 active)
Wiley ID 1847749