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6,7-bis(Benzyloxy)-1-(t-butoxycarbonyl)-3-[cyanomethyl[]ndole
SpectraBase Compound ID 5RdRckG6wwr
InChI InChI=1S/C29H28N2O4/c1-29(2,3)35-28(32)31-18-23(16-17-30)24-14-15-25(33-19-21-10-6-4-7-11-21)27(26(24)31)34-20-22-12-8-5-9-13-22/h4-15,18H,16,19-20H2,1-3H3
InChIKey XRBZTRWTHFTILE-UHFFFAOYSA-N
Mol Weight 468.55 g/mol
Molecular Formula C29H28N2O4
Exact Mass 468.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCmO3DOaqVF
Name 6,7-bis(Benzyloxy)-1-(t-butoxycarbonyl)-3-[cyanomethyl[]ndole
Alternate Name(s) tert-Butyl 6,7-bis(benzyloxy)-3-(cyanomethyl)-1H-indole-1-carboxylate
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Formula C29H28N2O4
InChI InChI=1S/C29H28N2O4/c1-29(2,3)35-28(32)31-18-23(16-17-30)24-14-15-25(33-19-21-10-6-4-7-11-21)27(26(24)31)34-20-22-12-8-5-9-13-22/h4-15,18H,16,19-20H2,1-3H3
InChIKey XRBZTRWTHFTILE-UHFFFAOYSA-N
Molecular Weight 468.553 g/mol
SMILES c12[n](cc(c1ccc(c2OCc1ccccc1)OCc1ccccc1)CC#N)C(OC(C)(C)C)=O
SPLASH splash10-002f-9070400000-7b5fc1b51f815f3c2b96
Source of Spectrum U-1996-1119-0
Wiley ID 768723