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Benzenesulfonamide, N-(4-aminobutyl)-4-methyl-N-[3-(2-oxoazacyclotridec-1-yl)propyl]-
SpectraBase Compound ID 4eAG51Y3Ll8
InChI InChI=1S/C26H45N3O3S/c1-24-15-17-25(18-16-24)33(31,32)29(22-12-10-19-27)23-13-21-28-20-11-8-6-4-2-3-5-7-9-14-26(28)30/h15-18H,2-14,19-23,27H2,1H3
InChIKey MMUCVZXMYBQRIN-UHFFFAOYSA-N
Mol Weight 479.7 g/mol
Molecular Formula C26H45N3O3S
Exact Mass 479.318163 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MV0HxJrzUP
Name Benzenesulfonamide, N-(4-aminobutyl)-4-methyl-N-[3-(2-oxoazacyclotridec-1-yl)propyl]-
CAS Registry Number 72636-91-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H45N3O3S
InChI InChI=1S/C26H45N3O3S/c1-24-15-17-25(18-16-24)33(31,32)29(22-12-10-19-27)23-13-21-28-20-11-8-6-4-2-3-5-7-9-14-26(28)30/h15-18H,2-14,19-23,27H2,1H3
InChIKey MMUCVZXMYBQRIN-UHFFFAOYSA-N
Molecular Weight 479.724 g/mol
SMILES NCCCCN(S(c1ccc(cc1)C)(=O)=O)CCCN1C(=O)CCCCCCCCCCC1
SPLASH splash10-0c2l-5890000000-cd295dd3defc7eaab7d1
Source of Spectrum H-62-1941-0
Synonyms 13-(8'-Amino-4'-tosyl-4'-azaoctyl)-12-dodecanlactam Azacyclotridecane, benzenesulfonamide deriv. N-(4-aminobutyl)-4-methyl-N-[3-(2-oxoazacyclotridecan-1-yl)propyl]benzenesulfonamide
Wiley ID 1395001