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Trans-2,3-dihydro-1-(1H-indole-3-carbonyl)-3-phenyl-cyclopropane-1,2-dicarbonitrile
SpectraBase Compound ID 7nqlEnHth4O
InChI InChI=1S/C20H13N3O/c21-10-16-18(13-6-2-1-3-7-13)20(16,12-22)19(24)15-11-23-17-9-5-4-8-14(15)17/h1-9,11,16,18,23H/t16-,18-,20-/m0/s1
InChIKey PCQWNOAFLJMXSA-QRFRQXIXSA-N
Mol Weight 311.34 g/mol
Molecular Formula C20H13N3O
Exact Mass 311.105862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LanjcFgvpM9
Name Trans-2,3-dihydro-1-(1H-indole-3-carbonyl)-3-phenyl-cyclopropane-1,2-dicarbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C20H13N3O
InChI InChI=1S/C20H13N3O/c21-10-16-18(13-6-2-1-3-7-13)20(16,12-22)19(24)15-11-23-17-9-5-4-8-14(15)17/h1-9,11,16,18,23H/t16-,18-,20-/m0/s1
InChIKey PCQWNOAFLJMXSA-QRFRQXIXSA-N
Molecular Weight 311.344 g/mol
SMILES [nH]1c2c(c(c1)C([C@]1([C@@](C#N)([C@@]1(c1ccccc1)[H])[H])C#N)=O)cccc2
SPLASH splash10-03di-0009000000-7b3562029c3e962b036b
Source of Spectrum Y-47-1120-3j
Wiley ID 1667339