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1-[N-(2-iodophenyl)-N-(1-oxo-2-methylenepropyl)amino]-8-[N'-(prop-2-ynyl)]octanesulfonamide
SpectraBase Compound ID IAoU7F5nW8i
InChI InChI=1S/C27H33IN2O3S/c1-4-20-29(34(32,33)24-16-10-9-11-17-24)21-14-7-5-6-8-15-22-30(27(31)23(2)3)26-19-13-12-18-25(26)28/h1,9-13,16-19H,2,5-8,14-15,20-22H2,3H3
InChIKey AAWVRVCPMHFREF-UHFFFAOYSA-N
Mol Weight 592.5 g/mol
Molecular Formula C27H33IN2O3S
Exact Mass 592.125659 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pxl9ECOyew
Name 1-[N-(2-iodophenyl)-N-(1-oxo-2-methylenepropyl)amino]-8-[N'-(prop-2-ynyl)]octanesulfonamide
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Formula C27H33IN2O3S
InChI InChI=1S/C27H33IN2O3S/c1-4-20-29(34(32,33)24-16-10-9-11-17-24)21-14-7-5-6-8-15-22-30(27(31)23(2)3)26-19-13-12-18-25(26)28/h1,9-13,16-19H,2,5-8,14-15,20-22H2,3H3
InChIKey AAWVRVCPMHFREF-UHFFFAOYSA-N
Molecular Weight 592.536 g/mol
SMILES C(N(S(=O)(=O)c1ccccc1)CCCCCCCCN(C(C(=C)C)=O)c1c(I)cccc1)C#C
SPLASH splash10-014i-0000900000-fc61ca1421e60fd8e22b
Source of Spectrum F-56-7550-21
Synonyms N-[8-(Benzenesulfonyl-prop-2-ynyl-amino)-octyl]-N-(2-iodo-phenyl)-2-methyl-acrylamide
Wiley ID 858698