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2,3-Dicyano-5-[4-(dibenzylamino)styryl]-6-ethyl-7-methyl-6H-1,4-diazepine
SpectraBase Compound ID GbKvjJrk6f8
InChI InChI=1S/C32H29N5/c1-3-29-24(2)35-31(20-33)32(21-34)36-30(29)19-16-25-14-17-28(18-15-25)37(22-26-10-6-4-7-11-26)23-27-12-8-5-9-13-27/h4-19,29H,3,22-23H2,1-2H3/b19-16+
InChIKey VWZZSKPLMYGXBX-KNTRCKAVSA-N
Mol Weight 483.6 g/mol
Molecular Formula C32H29N5
Exact Mass 483.242296 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8GNgyaHcMi2
Name 2,3-Dicyano-5-[4-(dibenzylamino)styryl]-6-ethyl-7-methyl-6H-1,4-diazepine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 483.242295954 u
Formula C32H29N5
InChI InChI=1S/C32H29N5/c1-3-29-24(2)35-31(20-33)32(21-34)36-30(29)19-16-25-14-17-28(18-15-25)37(22-26-10-6-4-7-11-26)23-27-12-8-5-9-13-27/h4-19,29H,3,22-23H2,1-2H3/b19-16+
InChIKey VWZZSKPLMYGXBX-KNTRCKAVSA-N
Molecular Weight 483.619 g/mol
SMILES C=1(N=C(C(C(=NC1C#N)\C=C\C=1C=CC(=CC1)N(CC=1C=CC=CC1)CC=1C=CC=CC1)CC)C)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950942