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N(1),N(10)-Di-n-decyl-N(1),N(5),N(10)-tris(2,3-dihydroxybenzoyl)-1,5,10-triazadecane
SpectraBase Compound ID EKQy9tk15xF
InChI InChI=1S/C48H71N3O9/c1-3-5-7-9-11-13-15-17-31-49(46(58)37-25-21-28-40(52)43(37)55)33-19-20-34-51(48(60)39-27-23-30-42(54)45(39)57)36-24-35-50(32-18-16-14-12-10-8-6-4-2)47(59)38-26-22-29-41(53)44(38)56/h21-23,25-30,52-57H,3-20,24,31-36H2,1-2H3
InChIKey ZRVNDRAXJMUYGG-UHFFFAOYSA-N
Mol Weight 834.1 g/mol
Molecular Formula C48H71N3O9
Exact Mass 833.519031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EklpYDiKZ0X
Name N(1),N(10)-Di-n-decyl-N(1),N(5),N(10)-tris(2,3-dihydroxybenzoyl)-1,5,10-triazadecane
CAS Registry Number 79664-28-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H71N3O9
InChI InChI=1S/C48H71N3O9/c1-3-5-7-9-11-13-15-17-31-49(46(58)37-25-21-28-40(52)43(37)55)33-19-20-34-51(48(60)39-27-23-30-42(54)45(39)57)36-24-35-50(32-18-16-14-12-10-8-6-4-2)47(59)38-26-22-29-41(53)44(38)56/h21-23,25-30,52-57H,3-20,24,31-36H2,1-2H3
InChIKey ZRVNDRAXJMUYGG-UHFFFAOYSA-N
Molecular Weight 834.108 g/mol
SMILES Oc1c(c(C(N(CCCN(C(c2c(c(ccc2)O)O)=O)CCCCCCCCCC)CCCCN(C(c2c(c(O)ccc2)O)=O)CCCCCCCCCC)=O)ccc1)O
SPLASH splash10-000i-0900001000-4e3745de44d079eb18d5
Source of Spectrum J-46-5236-0
Synonyms N-decyl-N-[3-(N-{4-[N-decyl-1-(2,3-dihydroxyphenyl)formamido]butyl}-1-(2,3-dihydroxyphenyl)formamido)propyl]-2,3-dihydroxybenzamide N-decyl-N-[4-[3-[decyl-[(2,3-dihydroxyphenyl)-oxomethyl]amino]propyl-[(2,3-dihydroxyphenyl)-oxomethyl]amino]butyl]-2,3-dihydroxybenzamide N-decyl-N-[4-[3-[decyl-(2,3-dihydroxybenzoyl)amino]propyl-(2,3-dihydroxybenzoyl)amino]butyl]-2,3-dihydroxybenzamide N-[4-[[2,3-bis(oxidanyl)phenyl]carbonyl-[3-[[2,3-bis(oxidanyl)phenyl]carbonyl-decyl-amino]propyl]amino]butyl]-N-decyl-2,3-bis(oxidanyl)benzamide
Wiley ID 1417558