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N(1),N(10)-Dicyclohexyl-N(1),N(5),N(10)-tris(2,3-dihydroxybenzoyl)-1,5,10-triazadecane
SpectraBase Compound ID Wpxy3hQS1u
InChI InChI=1S/C40H51N3O9/c44-32-20-9-17-29(35(32)47)38(50)41(24-12-26-43(28-15-5-2-6-16-28)40(52)31-19-11-22-34(46)37(31)49)23-7-8-25-42(27-13-3-1-4-14-27)39(51)30-18-10-21-33(45)36(30)48/h9-11,17-22,27-28,44-49H,1-8,12-16,23-26H2
InChIKey ZYWJGUDIUSYWHQ-UHFFFAOYSA-N
Mol Weight 717.9 g/mol
Molecular Formula C40H51N3O9
Exact Mass 717.36253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNRWTBrCsS0
Name N(1),N(10)-Dicyclohexyl-N(1),N(5),N(10)-tris(2,3-dihydroxybenzoyl)-1,5,10-triazadecane
CAS Registry Number 79664-32-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H51N3O9
InChI InChI=1S/C40H51N3O9/c44-32-20-9-17-29(35(32)47)38(50)41(24-12-26-43(28-15-5-2-6-16-28)40(52)31-19-11-22-34(46)37(31)49)23-7-8-25-42(27-13-3-1-4-14-27)39(51)30-18-10-21-33(45)36(30)48/h9-11,17-22,27-28,44-49H,1-8,12-16,23-26H2
InChIKey ZYWJGUDIUSYWHQ-UHFFFAOYSA-N
Molecular Weight 717.860 g/mol
SMILES Oc1c(c(C(N(CCCCN(CCCN(C(c2c(c(ccc2)O)O)=O)C2CCCCC2)C(c2c(c(O)ccc2)O)=O)C2CCCCC2)=O)ccc1)O
SPLASH splash10-03dr-0900110000-c33372a07dde56d5fc3a
Source of Spectrum J-46-5236-0
Synonyms N-cyclohexyl-N-{4-[{3-[cyclohexyl(2,3-dihydroxybenzoyl)amino]propyl}(2,3-dihydroxybenzoyl)amino]butyl}-2,3-dihydroxybenzamide
Wiley ID 1415557