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N(1),N(10)-Diisopropyl-N(1),N(5),N(10)-tris(2,3-dihydroxybenzoyl)-1,5,10-triazadecane
SpectraBase Compound ID 67zLTNkriVX
InChI InChI=1S/C34H43N3O9/c1-21(2)36(33(45)24-12-8-15-27(39)30(24)42)19-6-5-17-35(32(44)23-11-7-14-26(38)29(23)41)18-10-20-37(22(3)4)34(46)25-13-9-16-28(40)31(25)43/h7-9,11-16,21-22,38-43H,5-6,10,17-20H2,1-4H3
InChIKey QBEAZGQZYOMEAH-UHFFFAOYSA-N
Mol Weight 637.7 g/mol
Molecular Formula C34H43N3O9
Exact Mass 637.29993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzcmRmm4Uc6
Name N(1),N(10)-Diisopropyl-N(1),N(5),N(10)-tris(2,3-dihydroxybenzoyl)-1,5,10-triazadecane
CAS Registry Number 79072-70-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H43N3O9
InChI InChI=1S/C34H43N3O9/c1-21(2)36(33(45)24-12-8-15-27(39)30(24)42)19-6-5-17-35(32(44)23-11-7-14-26(38)29(23)41)18-10-20-37(22(3)4)34(46)25-13-9-16-28(40)31(25)43/h7-9,11-16,21-22,38-43H,5-6,10,17-20H2,1-4H3
InChIKey QBEAZGQZYOMEAH-UHFFFAOYSA-N
Molecular Weight 637.730 g/mol
SMILES Oc1c(c(C(N(CCCCN(CCCN(C(c2c(c(ccc2)O)O)=O)C(C)C)C(c2c(c(O)ccc2)O)=O)C(C)C)=O)ccc1)O
SPLASH splash10-0f7a-0901000000-13a5647d8c499c1d0a08
Source of Spectrum J-46-5236-0
Synonyms N-[4-((2,3-dihydroxybenzoyl){3-[(2,3-dihydroxybenzoyl)(isopropyl)amino]propyl}amino)butyl]-2,3-dihydroxy-N-isopropylbenzamide N-[4-[[(2,3-dihydroxyphenyl)-oxomethyl]-propan-2-ylamino]butyl]-N-[3-[[(2,3-dihydroxyphenyl)-oxomethyl]-propan-2-ylamino]propyl]-2,3-dihydroxybenzamide N-[4-[(2,3-dihydroxybenzoyl)-propan-2-ylamino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)-propan-2-ylamino]propyl]-2,3-dihydroxybenzamide N-[4-[[2,3-bis(oxidanyl)phenyl]carbonyl-propan-2-yl-amino]butyl]-N-[3-[[2,3-bis(oxidanyl)phenyl]carbonyl-propan-2-yl-amino]propyl]-2,3-bis(oxidanyl)benzamide
Wiley ID 1412442