8-keto-8-[4-[(8-keto-8-methoxy-octanoyl)amino]butylamino]caprylic acid methyl ester

SpectraBase Compound ID	3zD2JGzylTC
InChI	InChI=1S/C22H40N2O6/c1-29-21(27)15-9-5-3-7-13-19(25)23-17-11-12-18-24-20(26)14-8-4-6-10-16-22(28)30-2/h3-18H2,1-2H3,(H,23,25)(H,24,26)
InChIKey	JQEKGLAQYNZMJO-UHFFFAOYSA-N Google Search
Mol Weight	428.6 g/mol
Molecular Formula	C22H40N2O6
Exact Mass	428.288637 g/mol

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SpectraBase Spectrum ID	8NOciLGWnTO
Name	8-keto-8-[4-[(8-keto-8-methoxy-octanoyl)amino]butylamino]caprylic acid methyl ester
Alternate Name(s)	8-[4-[(8-methoxy-1,8-dioxooctyl)amino]butylamino]-8-oxooctanoic acid methyl ester methyl 8-[4-[(8-methoxy-8-oxidanylidene-octanoyl)amino]butylamino]-8-oxidanylidene-octanoate methyl 8-[4-[(8-methoxy-8-oxooctanoyl)amino]butylamino]-8-oxooctanoate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H40N2O6
InChI	InChI=1S/C22H40N2O6/c1-29-21(27)15-9-5-3-7-13-19(25)23-17-11-12-18-24-20(26)14-8-4-6-10-16-22(28)30-2/h3-18H2,1-2H3,(H,23,25)(H,24,26)
InChIKey	JQEKGLAQYNZMJO-UHFFFAOYSA-N
Molecular Weight	428.570 g/mol
SMILES	N(C(=O)CCCCCCC(=O)OC)CCCCNC(=O)CCCCCCC(=O)OC
SPLASH	splash10-0006-0900000000-53df4c13dd97ec90fba3
Source of Spectrum	KC-0-831-3
Wiley ID	780959