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2-[N-Formyl-N-(2-iodophenyl)amino]-1-tosyl-8-(3,4-(methylenedioxy)phenyl)oct-2-ene
SpectraBase Compound ID YQLYoJhbmI
InChI InChI=1S/C29H30INO5S/c1-22-12-15-25(16-13-22)37(33,34)19-24(31(20-32)27-11-7-6-10-26(27)30)9-5-3-2-4-8-23-14-17-28-29(18-23)36-21-35-28/h6-7,9-18,20H,2-5,8,19,21H2,1H3/b24-9-
InChIKey BJLPHLOTLXAVAJ-OPVMPGTRSA-N
Mol Weight 631.53 g/mol
Molecular Formula C29H30INO5S
Exact Mass 631.088939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6pGlGqAfqaZ
Name 2-[N-Formyl-N-(2-iodophenyl)amino]-1-tosyl-8-(3,4-(methylenedioxy)phenyl)oct-2-ene
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Formula C29H30INO5S
InChI InChI=1S/C29H30INO5S/c1-22-12-15-25(16-13-22)37(33,34)19-24(31(20-32)27-11-7-6-10-26(27)30)9-5-3-2-4-8-23-14-17-28-29(18-23)36-21-35-28/h6-7,9-18,20H,2-5,8,19,21H2,1H3/b24-9-
InChIKey BJLPHLOTLXAVAJ-OPVMPGTRSA-N
Molecular Weight 631.525 g/mol
SMILES C(\C(=C\CCCCCc1cc2c(cc1)OCO2)N(c1c(cccc1)I)C=O)S(=O)(=O)c1ccc(C)cc1
SPLASH splash10-054k-0940200000-4efda262298277cd0519
Source of Spectrum F-68-2231-26
Synonyms (1Z)-7-(1,3-benzodioxol-5-yl)-1-{[(4-methylphenyl)sulfonyl]methyl}-1-heptenyl(2-iodophenyl)formamide
Wiley ID 1572001