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1-Acetyl-4-[4-[(2RS,4SR)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-[1,3]dioxolan-4-yl]methoxy]phenyl]phenyl]1,2,3,4-tetrahydroyprazine
SpectraBase Compound ID BI8RH2gIiZQ
InChI InChI=1S/C26H26Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-10,12,14,18,23H,11,13,15-17H2,1H3/t23-,26-/m1/s1
InChIKey GHVFISLXKPKRQU-ZEQKJWHPSA-N
Mol Weight 529.42 g/mol
Molecular Formula C26H26Cl2N4O4
Exact Mass 528.133111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lJklEz4Dkk
Name 1-Acetyl-4-[4-[(2RS,4SR)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-[1,3]dioxolan-4-yl]methoxy]phenyl]phenyl]1,2,3,4-tetrahydroyprazine
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Formula C26H26Cl2N4O4
InChI InChI=1S/C26H26Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-10,12,14,18,23H,11,13,15-17H2,1H3/t23-,26-/m1/s1
InChIKey GHVFISLXKPKRQU-ZEQKJWHPSA-N
Molecular Weight 529.424 g/mol
SMILES [C@@]1(c2c(cc(cc2)Cl)Cl)(O[C@](COc2ccc(N3C=CN(CC3)C(=O)C)cc2)(CO1)[H])C[n]1cncc1
SPLASH splash10-00or-9310160000-83deee94986eeb7bde78
Source of Spectrum QC-24-462-2
Synonyms 1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-2,3-dihydropyrazin-1-yl]ethanone
Wiley ID 1584064