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Benzamide, N,N',N''-[1,3,5-benzenetriyltris(methylene)]tris[2,3-dihydroxy-N-methyl-
SpectraBase Compound ID IwTdZxhVg5b
InChI InChI=1S/C33H33N3O9/c1-34(31(43)22-7-4-10-25(37)28(22)40)16-19-13-20(17-35(2)32(44)23-8-5-11-26(38)29(23)41)15-21(14-19)18-36(3)33(45)24-9-6-12-27(39)30(24)42/h4-15,37-42H,16-18H2,1-3H3
InChIKey GOYGQLQLZYUXFR-UHFFFAOYSA-N
Mol Weight 615.6 g/mol
Molecular Formula C33H33N3O9
Exact Mass 615.22168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5wJPptnvQzs
Name Benzamide, N,N',N''-[1,3,5-benzenetriyltris(methylene)]tris[2,3-dihydroxy-N-methyl-
CAS Registry Number 79087-35-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H33N3O9
InChI InChI=1S/C33H33N3O9/c1-34(31(43)22-7-4-10-25(37)28(22)40)16-19-13-20(17-35(2)32(44)23-8-5-11-26(38)29(23)41)15-21(14-19)18-36(3)33(45)24-9-6-12-27(39)30(24)42/h4-15,37-42H,16-18H2,1-3H3
InChIKey GOYGQLQLZYUXFR-UHFFFAOYSA-N
Molecular Weight 615.639 g/mol
SMILES Oc1c(c(C(N(Cc2cc(cc(CN(C(c3c(c(ccc3)O)O)=O)C)c2)CN(C(c2c(c(O)ccc2)O)=O)C)C)=O)ccc1)O
SPLASH splash10-000i-0901201000-a19dade14dd4eb853658
Source of Spectrum C-103-5135-0
Synonyms 1,3,5-tris(N-methyl-N-(2,3-dihydroxybenzoyl)aminomethyl)benzene Benzamide, N,N',N''-[1,3,5-benzenetriyltris(methylene)]tris[2,3-dihydroxy-N-methyl- N-(3,5-bis{[(2,3-dihydroxybenzoyl)(methyl)amino]methyl}benzyl)-2,3-dihydroxy-N-methylbenzamide
Wiley ID 1411258