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Ethyl N-[(1-benzylindol-2-yl)cyanomethyl]-N-benzoylaminoacetate
SpectraBase Compound ID K0NOOWqCmVM
InChI InChI=1S/C28H25N3O3/c1-2-34-27(32)20-31(28(33)22-13-7-4-8-14-22)26(18-29)25-17-23-15-9-10-16-24(23)30(25)19-21-11-5-3-6-12-21/h3-17,26H,2,19-20H2,1H3
InChIKey BXCLCSPBUNQFHE-UHFFFAOYSA-N
Mol Weight 451.53 g/mol
Molecular Formula C28H25N3O3
Exact Mass 451.189592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I3oPmVPMxgL
Name Ethyl N-[(1-benzylindol-2-yl)cyanomethyl]-N-benzoylaminoacetate
Comments Less than 3 mono-isotopic peaks
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Formula C28H25N3O3
InChI InChI=1S/C28H25N3O3/c1-2-34-27(32)20-31(28(33)22-13-7-4-8-14-22)26(18-29)25-17-23-15-9-10-16-24(23)30(25)19-21-11-5-3-6-12-21/h3-17,26H,2,19-20H2,1H3
InChIKey BXCLCSPBUNQFHE-UHFFFAOYSA-N
Molecular Weight 451.526 g/mol
SMILES c1([n](c2ccccc2c1)Cc1ccccc1)C(N(C(=O)c1ccccc1)CC(=O)OCC)C#N
SPLASH splash10-0udj-0006900000-05ccfe8892ccba6c6c21
Source of Spectrum F-53-1601-14
Synonyms ethyl {benzoyl[(1-benzyl-1H-indol-2-yl)(cyano)methyl]amino}acetate
Wiley ID 800501