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2-[1R,2R-1,2-Bis(benzyloxy)-3-hydroxypropyl]benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
SpectraBase Compound ID 16Kw2H364yi
InChI InChI=1S/C29H25N3O3/c30-16-23-15-24(17-32-26-14-8-7-13-25(26)31-29(23)32)28(35-20-22-11-5-2-6-12-22)27(18-33)34-19-21-9-3-1-4-10-21/h1-15,17,27-28,33H,18-20H2/t27-,28-/m1/s1
InChIKey PEVSYRWAGMQSKO-VSGBNLITSA-N
Mol Weight 463.54 g/mol
Molecular Formula C29H25N3O3
Exact Mass 463.189592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6622QBhmV9k
Name 2-[1R,2R-1,2-Bis(benzyloxy)-3-hydroxypropyl]benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
Alternate Name(s) 2-[(1R,2R)-1,2-bis(benzyloxy)-3-hydroxypropyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H25N3O3
InChI InChI=1S/C29H25N3O3/c30-16-23-15-24(17-32-26-14-8-7-13-25(26)31-29(23)32)28(35-20-22-11-5-2-6-12-22)27(18-33)34-19-21-9-3-1-4-10-21/h1-15,17,27-28,33H,18-20H2/t27-,28-/m1/s1
InChIKey PEVSYRWAGMQSKO-VSGBNLITSA-N
Molecular Weight 463.537 g/mol
SMILES OC[C@]([C@@](C=1C=C(c2[n](C1)c1c(n2)cccc1)C#N)(OCc1ccccc1)[H])(OCc1ccccc1)[H]
SPLASH splash10-0006-9002200000-e7a84fc68b940c6afc11
Source of Spectrum F4-0-2764-11
Wiley ID 1618837