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(3S,6R)-3-((1-(tert-Butyloxycarbonyl)-6-chloro-5-methoxy-3-indoyl)methyl)-3,6-dihydro-6-isopropyl-2,5-diethoxypyrazine
SpectraBase Compound ID CVj9ycjLUZx
InChI InChI=1S/C26H36ClN3O5/c1-9-33-23-19(28-24(34-10-2)20(29-23)15(3)4)13-16-14-30(25(31)35-26(5,6)7)21-17(16)11-12-18(27)22(21)32-8/h11-12,14-15,19-20H,9-10,13H2,1-8H3/t19-,20+/m0/s1
InChIKey WCCCCOULVOZFLY-VQTJNVASSA-N
Mol Weight 506.0 g/mol
Molecular Formula C26H36ClN3O5
Exact Mass 505.234349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L6raFFZUHAg
Name (3S,6R)-3-((1-(tert-Butyloxycarbonyl)-6-chloro-5-methoxy-3-indoyl)methyl)-3,6-dihydro-6-isopropyl-2,5-diethoxypyrazine
Alternate Name(s) tert-Butyl 6-chloro-3-{[(2S,5R)-3,6-diethoxy-5-isopropyl-2,5-dihydro-2-pyrazinyl]methyl}-7-methoxy-1H-indole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36ClN3O5
InChI InChI=1S/C26H36ClN3O5/c1-9-33-23-19(28-24(34-10-2)20(29-23)15(3)4)13-16-14-30(25(31)35-26(5,6)7)21-17(16)11-12-18(27)22(21)32-8/h11-12,14-15,19-20H,9-10,13H2,1-8H3/t19-,20+/m0/s1
InChIKey WCCCCOULVOZFLY-VQTJNVASSA-N
Molecular Weight 506.043 g/mol
SMILES c12[n](cc(c2ccc(c1OC)Cl)C[C@@]1(N=C(OCC)[C@](N=C1OCC)(C(C)C)[H])[H])C(OC(C)(C)C)=O
SPLASH splash10-02tc-0920000000-d52b573d8c36363540cf
Source of Spectrum J-62-7454-17
Wiley ID 1399702