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2-Bromo-3-[[(2S,5R)-3,6-diethoxy-5-isopropyl-2,5-dihydropyrazin-2-yl]methyl]-6-methoxy-indole-1-carboxylic acid tert-butyl ester
SpectraBase Compound ID Dss2VLXE08S
InChI InChI=1S/C26H36BrN3O5/c1-9-33-23-19(28-24(34-10-2)21(29-23)15(3)4)14-18-17-12-11-16(32-8)13-20(17)30(22(18)27)25(31)35-26(5,6)7/h11-13,15,19,21H,9-10,14H2,1-8H3/t19-,21+/m0/s1
InChIKey NAOVSVRPKFMFON-PZJWPPBQSA-N
Mol Weight 550.5 g/mol
Molecular Formula C26H36BrN3O5
Exact Mass 549.183834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fzs9GA728M4
Name 2-Bromo-3-[[(2S,5R)-3,6-diethoxy-5-isopropyl-2,5-dihydropyrazin-2-yl]methyl]-6-methoxy-indole-1-carboxylic acid tert-butyl ester
Alternate Name(s) 2-Bromo-3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-6-methoxy-1-indolecarboxylic acid tert-butyl ester tert-Butyl 2-bromanyl-3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-6-methoxy-indole-1-carboxylate tert-Butyl 2-bromo-3-[[(2S,5R)-3,6-diethoxy-5-isopropyl-2,5-dihydropyrazin-2-yl]methyl]-6-methoxy-indole-1-carboxylate tert-Butyl 2-bromo-3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-6-methoxyindole-1-carboxylate
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Formula C26H36BrN3O5
InChI InChI=1S/C26H36BrN3O5/c1-9-33-23-19(28-24(34-10-2)21(29-23)15(3)4)14-18-17-12-11-16(32-8)13-20(17)30(22(18)27)25(31)35-26(5,6)7/h11-13,15,19,21H,9-10,14H2,1-8H3/t19-,21+/m0/s1
InChIKey NAOVSVRPKFMFON-PZJWPPBQSA-N
Molecular Weight 550.494 g/mol
SMILES c1([n](c2c(c1C[C@@]1(N=C(OCC)[C@](N=C1OCC)(C(C)C)[H])[H])ccc(c2)OC)C(OC(C)(C)C)=O)Br
SPLASH splash10-044l-0794620000-26de2e959d20525fb71b
Source of Spectrum J-62-9303-24
Wiley ID 1405575