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N,N'-(m-Xylylene)-bis[N-(4'-aminobutyl)naphthalene-2-sulfonamide] - dihydrochloride
SpectraBase Compound ID 3tWYAaH5zH6
InChI InChI=1S/C36H42N4O4S2.2ClH/c37-20-5-7-22-39(45(41,42)35-18-16-31-12-1-3-14-33(31)25-35)27-29-10-9-11-30(24-29)28-40(23-8-6-21-38)46(43,44)36-19-17-32-13-2-4-15-34(32)26-36;;/h1-4,9-19,24-26H,5-8,20-23,27-28,37-38H2;2*1H
InChIKey APOYNOZRQSDKEB-UHFFFAOYSA-N
Mol Weight 731.8 g/mol
Molecular Formula C36H44Cl2N4O4S2
Exact Mass 730.218104 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DF5R112DjbZ
Name N,N'-(m-Xylylene)-bis[N-(4'-aminobutyl)naphthalene-2-sulfonamide] - dihydrochloride
Alternate Name(s) N-(4-aminobutyl)-N-[(3-{[N-(4-aminobutyl)naphthalene-2-sulfonamido]methyl}phenyl)methyl]naphthalene-2-sulfonamide dihydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H44Cl2N4O4S2
InChI InChI=1S/C36H42N4O4S2.2ClH/c37-20-5-7-22-39(45(41,42)35-18-16-31-12-1-3-14-33(31)25-35)27-29-10-9-11-30(24-29)28-40(23-8-6-21-38)46(43,44)36-19-17-32-13-2-4-15-34(32)26-36;;/h1-4,9-19,24-26H,5-8,20-23,27-28,37-38H2;2*1H
InChIKey APOYNOZRQSDKEB-UHFFFAOYSA-N
Molecular Weight 731.798 g/mol
SMILES Cl.NCCCCN(Cc1cc(CN(CCCCN)S(c2cc3ccccc3cc2)(=O)=O)ccc1)S(c1cc2ccccc2cc1)(=O)=O.Cl
SPLASH splash10-00b9-7900000000-e2a17e71088e0b9d67e3
Source of Spectrum D8-327-402-16
Wiley ID 1515273