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N-[9-Diethylamino-5-(benzenesulfonyl)-5-azanona-2',7'-diyn-1-yl]-N-benesulfonyl-N-(2-iodophenyl)amine
SpectraBase Compound ID 6ebzN6HMMkt
InChI InChI=1S/C30H32IN3O4S2/c1-3-32(4-2)23-13-14-24-33(39(35,36)27-17-7-5-8-18-27)25-15-16-26-34(30-22-12-11-21-29(30)31)40(37,38)28-19-9-6-10-20-28/h5-12,17-22H,3-4,23-26H2,1-2H3
InChIKey XRRSQRQJUDRSRE-UHFFFAOYSA-N
Mol Weight 689.6 g/mol
Molecular Formula C30H32IN3O4S2
Exact Mass 689.087894 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99V6L3bUYfg
Name N-[9-Diethylamino-5-(benzenesulfonyl)-5-azanona-2',7'-diyn-1-yl]-N-benesulfonyl-N-(2-iodophenyl)amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H32IN3O4S2
InChI InChI=1S/C30H32IN3O4S2/c1-3-32(4-2)23-13-14-24-33(39(35,36)27-17-7-5-8-18-27)25-15-16-26-34(30-22-12-11-21-29(30)31)40(37,38)28-19-9-6-10-20-28/h5-12,17-22H,3-4,23-26H2,1-2H3
InChIKey XRRSQRQJUDRSRE-UHFFFAOYSA-N
Molecular Weight 689.627 g/mol
SMILES c1(N(S(=O)(=O)c2ccccc2)CC#CCN(S(=O)(=O)c2ccccc2)CC#CCN(CC)CC)c(I)cccc1
SPLASH splash10-0adi-9000000000-a7fafbace3224262d3a2
Source of Spectrum F-52-11494-23
Synonyms N-[9-ethylamino-5-(benzenesulfonyl)-5-azanona-2',7'-diyn-1-yl]-N-benesulfonyl-N-(2-iodophenyl)amine
Wiley ID 798364