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N-[4-[(2,3-Dimethoxybenzoyl)octylamino]butyl]-N-[3-[(2,3-dimethoxybenzoyl)-octylamino]propyl]-2,3-dimethoxy-benzamide
SpectraBase Compound ID 6EsZ8mmKHEv
InChI InChI=1S/C50H75N3O9/c1-9-11-13-15-17-19-33-51(48(54)39-27-23-30-42(57-3)45(39)60-6)35-21-22-36-53(50(56)41-29-25-32-44(59-5)47(41)62-8)38-26-37-52(34-20-18-16-14-12-10-2)49(55)40-28-24-31-43(58-4)46(40)61-7/h23-25,27-32H,9-22,26,33-38H2,1-8H3
InChIKey OMTWKGQKWMCNGO-UHFFFAOYSA-N
Mol Weight 862.2 g/mol
Molecular Formula C50H75N3O9
Exact Mass 861.550331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MVIVcZ98vl
Name N-[4-[(2,3-Dimethoxybenzoyl)octylamino]butyl]-N-[3-[(2,3-dimethoxybenzoyl)-octylamino]propyl]-2,3-dimethoxy-benzamide
CAS Registry Number 79664-35-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H75N3O9
InChI InChI=1S/C50H75N3O9/c1-9-11-13-15-17-19-33-51(48(54)39-27-23-30-42(57-3)45(39)60-6)35-21-22-36-53(50(56)41-29-25-32-44(59-5)47(41)62-8)38-26-37-52(34-20-18-16-14-12-10-2)49(55)40-28-24-31-43(58-4)46(40)61-7/h23-25,27-32H,9-22,26,33-38H2,1-8H3
InChIKey OMTWKGQKWMCNGO-UHFFFAOYSA-N
Molecular Weight 862.162 g/mol
SMILES c1(C(N(CCCCN(C(c2c(c(OC)ccc2)OC)=O)CCCN(C(c2c(c(OC)ccc2)OC)=O)CCCCCCCC)CCCCCCCC)=O)c(c(OC)ccc1)OC
SPLASH splash10-015a-0701103190-30b6b7a20706b43cadf9
Source of Spectrum J-46-5236-0
Synonyms N-{3-[1-(2,3-dimethoxyphenyl)-N-{4-[1-(2,3-dimethoxyphenyl)-N-octylformamido]butyl}formamido]propyl}-2,3-dimethoxy-N-octylbenzamide
Wiley ID 1417770