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N-[4-[(2,3-Dimethoxybenzoyl)decylamino]butyl]-N-[3-[(2,3-dimethoxybenzoyl)-decylamino]propyl]-2,3-dimethoxy-benzamide
SpectraBase Compound ID 3R1N3KS1rT0
InChI InChI=1S/C54H83N3O9/c1-9-11-13-15-17-19-21-23-37-55(52(58)43-31-27-34-46(61-3)49(43)64-6)39-25-26-40-57(54(60)45-33-29-36-48(63-5)51(45)66-8)42-30-41-56(38-24-22-20-18-16-14-12-10-2)53(59)44-32-28-35-47(62-4)50(44)65-7/h27-29,31-36H,9-26,30,37-42H2,1-8H3
InChIKey VKYMCDUYGMYRCV-UHFFFAOYSA-N
Mol Weight 918.3 g/mol
Molecular Formula C54H83N3O9
Exact Mass 917.612931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2yZe8QYfJQD
Name N-[4-[(2,3-Dimethoxybenzoyl)decylamino]butyl]-N-[3-[(2,3-dimethoxybenzoyl)-decylamino]propyl]-2,3-dimethoxy-benzamide
Alternate Name(s) N-decyl-N-[4-(N-{3-[N-decyl-1-(2,3-dimethoxyphenyl)formamido]propyl}-1-(2,3-dimethoxyphenyl)formamido)butyl]-2,3-dimethoxybenzamide
CAS Registry Number 79664-29-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H83N3O9
InChI InChI=1S/C54H83N3O9/c1-9-11-13-15-17-19-21-23-37-55(52(58)43-31-27-34-46(61-3)49(43)64-6)39-25-26-40-57(54(60)45-33-29-36-48(63-5)51(45)66-8)42-30-41-56(38-24-22-20-18-16-14-12-10-2)53(59)44-32-28-35-47(62-4)50(44)65-7/h27-29,31-36H,9-26,30,37-42H2,1-8H3
InChIKey VKYMCDUYGMYRCV-UHFFFAOYSA-N
Molecular Weight 918.270 g/mol
SMILES c1(C(N(CCCN(C(c2c(c(OC)ccc2)OC)=O)CCCCCCCCCC)CCCCN(C(c2c(c(OC)ccc2)OC)=O)CCCCCCCCCC)=O)c(c(OC)ccc1)OC
SPLASH splash10-0gbi-0700000953-cf28c7330aaa178b133a
Source of Spectrum J-46-5236-0
Wiley ID 1418106