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tert-Butyl 3-((E)-2-{benzyl-[(4-methylphenyl)sulfonyl]amino}ethynyl)-5-methoxy-1H-indole-1-carboxylate
SpectraBase Compound ID JeWpUcgVEFZ
InChI InChI=1S/C30H32N2O5S/c1-22-11-14-26(15-12-22)38(34,35)31(20-23-9-7-6-8-10-23)18-17-24-21-32(29(33)37-30(2,3)4)28-16-13-25(36-5)19-27(24)28/h6-19,21H,20H2,1-5H3/b18-17+
InChIKey KZGNWXUDMUUMTQ-ISLYRVAYSA-N
Mol Weight 532.7 g/mol
Molecular Formula C30H32N2O5S
Exact Mass 532.203193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ztjgdBfdIO
Name tert-Butyl 3-((E)-2-{benzyl-[(4-methylphenyl)sulfonyl]amino}ethynyl)-5-methoxy-1H-indole-1-carboxylate
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Formula C30H32N2O5S
InChI InChI=1S/C30H32N2O5S/c1-22-11-14-26(15-12-22)38(34,35)31(20-23-9-7-6-8-10-23)18-17-24-21-32(29(33)37-30(2,3)4)28-16-13-25(36-5)19-27(24)28/h6-19,21H,20H2,1-5H3/b18-17+
InChIKey KZGNWXUDMUUMTQ-ISLYRVAYSA-N
Molecular Weight 532.655 g/mol
SMILES c1(\C=C\N(S(c2ccc(cc2)C)(=O)=O)Cc2ccccc2)c[n](C(OC(C)(C)C)=O)c2c1cc(cc2)OC
SPLASH splash10-0005-0009510000-71af6eb195937448ff38
Source of Spectrum F-56-8479-15
Synonyms tert-Butyl 3-((E)-2-{benzyl[(4-methylphenyl)sulfonyl]amino}ethenyl)-5-methoxy-1H-indole-1-carboxylate
Wiley ID 859006