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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 FKyXpXqS3jZ
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 c1(S([n]2cc(C[C@]3(N=C(OCC)[C@@](N=C3OCC)(C(C)C)[H])[H])c3c2ccc(OC)c3)(=O)=O)ccccc1
SPLASH splash10-0pb9-0905000000-b0d050f9eeaf82d42cb6
Source of Spectrum SK-25-3894-6
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 865916