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(S)-2-(3-(5-methyl-1-(naphthalen-2-yl)-1H-1,2,3-triazol-4-yl)-3-oxo-1-phenylpropyl)malononitrile
SpectraBase Compound ID Ei9fuPIzaj6
InChI InChI=1S/C25H19N5O/c1-17-25(24(31)14-23(21(15-26)16-27)19-8-3-2-4-9-19)28-29-30(17)22-12-11-18-7-5-6-10-20(18)13-22/h2-13,21,23H,14H2,1H3/t23-/m1/s1
InChIKey XLPJITGTQXLLBA-HSZRJFAPSA-N
Mol Weight 405.46 g/mol
Molecular Formula C25H19N5O
Exact Mass 405.15896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 93mOWN41ADO
Name (S)-2-(3-(5-methyl-1-(naphthalen-2-yl)-1H-1,2,3-triazol-4-yl)-3-oxo-1-phenylpropyl)malononitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H19N5O
InChI InChI=1S/C25H19N5O/c1-17-25(24(31)14-23(21(15-26)16-27)19-8-3-2-4-9-19)28-29-30(17)22-12-11-18-7-5-6-10-20(18)13-22/h2-13,21,23H,14H2,1H3/t23-/m1/s1
InChIKey XLPJITGTQXLLBA-HSZRJFAPSA-N
Literature Reference DOI 10.1039/c4gc00386a
Molecular Weight 405.461 g/mol
SMILES C(C(C#N)[C@](CC(c1c([n](nn1)-c1cc2c(cc1)cccc2)C)=O)(c1ccccc1)[H])#N
SPLASH splash10-0059-0900000000-a34696a484c4717640de
Source of Spectrum GCH-16-3454/SM12-6j
Wiley ID 1755420