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1-(benzenesulfonyl)-3-[[(2R,5S)-3,6-diethoxy-5-isopropyl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-indole
SpectraBase Compound ID EnoJ015VlWY
InChI InChI=1S/C27H33N3O5S/c1-6-34-26-23(28-27(35-7-2)25(29-26)18(3)4)15-19-17-30(24-14-13-20(33-5)16-22(19)24)36(31,32)21-11-9-8-10-12-21/h8-14,16-18,23,25H,6-7,15H2,1-5H3/t23-,25+/m1/s1
InChIKey YBPWIFJPMUBMCU-NOZRDPDXSA-N
Mol Weight 511.6 g/mol
Molecular Formula C27H33N3O5S
Exact Mass 511.214092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B18V1QM1cdU
Name 1-(benzenesulfonyl)-3-[[(2R,5S)-3,6-diethoxy-5-isopropyl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H33N3O5S
InChI InChI=1S/C27H33N3O5S/c1-6-34-26-23(28-27(35-7-2)25(29-26)18(3)4)15-19-17-30(24-14-13-20(33-5)16-22(19)24)36(31,32)21-11-9-8-10-12-21/h8-14,16-18,23,25H,6-7,15H2,1-5H3/t23-,25+/m1/s1
InChIKey YBPWIFJPMUBMCU-NOZRDPDXSA-N
Molecular Weight 511.637 g/mol
SMILES C=1([C@](N=C([C@@](N1)(C(C)C)[H])OCC)(Cc1c[n](c2c1cc(cc2)OC)S(=O)(=O)c1ccccc1)[H])OCC
SPLASH splash10-0pb9-0905000000-5fbe101c223f6ceaceb6
Source of Spectrum F-68-6291-28
Synonyms 1-(benzenesulfonyl)-3-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxyindole 1-besyl-3-[[(2R,5S)-3,6-diethoxy-5-isopropyl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-indole 3-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-1-(phenylsulfonyl)indole
Wiley ID 1573128