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tert-butyl 4-[2-fluoro-4-[[2-[(E)-2-methoxy-1-methoxycarbonyl-vinyl]phenyl]methoxy]phenyl]piperazine-1-carboxylate
SpectraBase Compound ID Ds0swiS8ZOL
InChI InChI=1S/C27H33FN2O6/c1-27(2,3)36-26(32)30-14-12-29(13-15-30)24-11-10-20(16-23(24)28)35-17-19-8-6-7-9-21(19)22(18-33-4)25(31)34-5/h6-11,16,18H,12-15,17H2,1-5H3/b22-18+
InChIKey SQGRVDXFVUYELL-RELWKKBWSA-N
Mol Weight 500.6 g/mol
Molecular Formula C27H33FN2O6
Exact Mass 500.232265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CVtZNhzDFg
Name tert-butyl 4-[2-fluoro-4-[[2-[(E)-2-methoxy-1-methoxycarbonyl-vinyl]phenyl]methoxy]phenyl]piperazine-1-carboxylate
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Formula C27H33FN2O6
InChI InChI=1S/C27H33FN2O6/c1-27(2,3)36-26(32)30-14-12-29(13-15-30)24-11-10-20(16-23(24)28)35-17-19-8-6-7-9-21(19)22(18-33-4)25(31)34-5/h6-11,16,18H,12-15,17H2,1-5H3/b22-18+
InChIKey SQGRVDXFVUYELL-RELWKKBWSA-N
Ionization Type EI
Molecular Weight 500.567 g/mol
SMILES c1cc(\C(=C/OC)C(=O)OC)c(COc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1
SPLASH splash10-0a4m-9430000000-e8e03c4d9d76f0c413be
Source of Spectrum US20100256367A1
Wiley ID 1844154