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[(1R,4S)-N-(But-3''-enyl)-N'-(4'',4''-diethoxybutyl)-N,N'-dinosylcyclopent-4-ene-1,3-diamine
SpectraBase Compound ID 1FAwCpi6n7a
InChI InChI=1S/C29H38N4O10S2/c1-4-7-20-30(44(38,39)27-15-10-8-13-25(27)32(34)35)23-18-19-24(22-23)31(21-12-17-29(42-5-2)43-6-3)45(40,41)28-16-11-9-14-26(28)33(36)37/h4,8-11,13-16,18-19,23-24,29H,1,5-7,12,17,20-22H2,2-3H3/t23-,24+/m1/s1
InChIKey PTZHTBHYIFZEFT-RPWUZVMVSA-N
Mol Weight 666.8 g/mol
Molecular Formula C29H38N4O10S2
Exact Mass 666.202936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56VxUwNUYqC
Name [(1R,4S)-N-(But-3''-enyl)-N'-(4'',4''-diethoxybutyl)-N,N'-dinosylcyclopent-4-ene-1,3-diamine
Alternate Name(s) N-[(1R,4S)-4-[but-3-enyl-(2-nitrophenyl)sulfonylamino]-1-cyclopent-2-enyl]-N-(4,4-diethoxybutyl)-2-nitrobenzenesulfonamide N-[(1R,4S)-4-[but-3-enyl-(2-nitrophenyl)sulfonylamino]cyclopent-2-en-1-yl]-N-(4,4-diethoxybutyl)-2-nitrobenzenesulfonamide
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Formula C29H38N4O10S2
InChI InChI=1S/C29H38N4O10S2/c1-4-7-20-30(44(38,39)27-15-10-8-13-25(27)32(34)35)23-18-19-24(22-23)31(21-12-17-29(42-5-2)43-6-3)45(40,41)28-16-11-9-14-26(28)33(36)37/h4,8-11,13-16,18-19,23-24,29H,1,5-7,12,17,20-22H2,2-3H3/t23-,24+/m1/s1
InChIKey PTZHTBHYIFZEFT-RPWUZVMVSA-N
Molecular Weight 666.761 g/mol
SMILES c1(S(N([C@@]2(C[C@](N(S(c3c(N(=O)=O)cccc3)(=O)=O)CCC=C)(C=C2)[H])[H])CCCC(OCC)OCC)(=O)=O)c(N(=O)=O)cccc1
SPLASH splash10-000i-2935200000-8673ea044986f7afecdb
Source of Spectrum C-122-9588-10
Wiley ID 1700465