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(2S,8S)-2-[2'-(4'',4''-Diethoxybutyl)-N-(nosylamino)but-3'-enyl]-N'-nosyl-1,2,5,6-tetrahydropyridine
SpectraBase Compound ID 25BLDM1OsnP
InChI InChI=1S/C29H38N4O10S2/c1-4-23(22-24-14-11-12-20-31(24)45(40,41)28-18-10-8-16-26(28)33(36)37)30(21-13-19-29(42-5-2)43-6-3)44(38,39)27-17-9-7-15-25(27)32(34)35/h4,7-11,14-18,23-24,29H,1,5-6,12-13,19-22H2,2-3H3/t23-,24+/m0/s1
InChIKey SWGPGDDYLZSBRE-BJKOFHAPSA-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 KvCPsfFKoKZ
Name (2S,8S)-2-[2'-(4'',4''-Diethoxybutyl)-N-(nosylamino)but-3'-enyl]-N'-nosyl-1,2,5,6-tetrahydropyridine
Alternate Name(s) N-(4,4-diethoxybutyl)-2-nitro-N-[(2R)-1-[(6S)-1-(2-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridin-6-yl]but-3-en-2-yl]benzenesulfonamide
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Formula C29H38N4O10S2
InChI InChI=1S/C29H38N4O10S2/c1-4-23(22-24-14-11-12-20-31(24)45(40,41)28-18-10-8-16-26(28)33(36)37)30(21-13-19-29(42-5-2)43-6-3)44(38,39)27-17-9-7-15-25(27)32(34)35/h4,7-11,14-18,23-24,29H,1,5-6,12-13,19-22H2,2-3H3/t23-,24+/m0/s1
InChIKey SWGPGDDYLZSBRE-BJKOFHAPSA-N
Molecular Weight 666.761 g/mol
SMILES c1(S(N2[C@@](C[C@@](N(S(c3c(N(=O)=O)cccc3)(=O)=O)CCCC(OCC)OCC)(C=C)[H])(C=CCC2)[H])(=O)=O)c(N(=O)=O)cccc1
SPLASH splash10-014i-0390000000-b34070e1fc4730d19c41
Source of Spectrum C-122-9589-16
Wiley ID 1700462