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N-[9-Piperidyl-5-(benzenesulfonyl)-5-azanona-2',7'-diyn-1-yl]-N-benesulfonyl-N-(2-iodophenyl)amine
SpectraBase Compound ID JYZZaEaAeZr
InChI InChI=1S/C31H32IN3O4S2/c32-30-20-8-9-21-31(30)35(41(38,39)29-18-6-2-7-19-29)27-15-14-26-34(40(36,37)28-16-4-1-5-17-28)25-13-12-24-33-22-10-3-11-23-33/h1-2,4-9,16-21H,3,10-11,22-27H2
InChIKey WWJMDGMPQRKOQR-UHFFFAOYSA-N
Mol Weight 701.6 g/mol
Molecular Formula C31H32IN3O4S2
Exact Mass 701.087894 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVRIDCMGYBD
Name N-[9-Piperidyl-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 C31H32IN3O4S2
InChI InChI=1S/C31H32IN3O4S2/c32-30-20-8-9-21-31(30)35(41(38,39)29-18-6-2-7-19-29)27-15-14-26-34(40(36,37)28-16-4-1-5-17-28)25-13-12-24-33-22-10-3-11-23-33/h1-2,4-9,16-21H,3,10-11,22-27H2
InChIKey WWJMDGMPQRKOQR-UHFFFAOYSA-N
Molecular Weight 701.638 g/mol
SMILES c1(N(S(=O)(=O)c2ccccc2)CC#CCN(S(=O)(=O)c2ccccc2)CC#CCN2CCCCC2)c(I)cccc1
SPLASH splash10-004i-9000010000-6aebe1b0581a97ca74be
Source of Spectrum F-52-11494-23c
Wiley ID 798366