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(4'-Cyanobenzylidene) 3,4-methylenedioxybenzoylhydrazine

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(4'-Cyanobenzylidene) 3,4-methylenedioxybenzoylhydrazine
SpectraBase Compound ID 4eIh3xR37Fa
InChI InChI=1S/C16H11N3O3/c17-8-11-1-3-12(4-2-11)9-18-19-16(20)13-5-6-14-15(7-13)22-10-21-14/h1-7,9H,10H2,(H,19,20)/b18-9+
InChIKey QKPDNYMHPGIHMT-GIJQJNRQSA-N
Mol Weight 293.28 g/mol
Molecular Formula C16H11N3O3
Exact Mass 293.080041 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ENFzszIKuGp
Name (4'-Cyanobenzylidene) 3,4-methylenedioxybenzoylhydrazine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.080041223 u
Formula C16H11N3O3
InChI InChI=1S/C16H11N3O3/c17-8-11-1-3-12(4-2-11)9-18-19-16(20)13-5-6-14-15(7-13)22-10-21-14/h1-7,9H,10H2,(H,19,20)/b18-9+
InChIKey QKPDNYMHPGIHMT-GIJQJNRQSA-N
Molecular Weight 293.282 g/mol
SMILES C(C1=CC=2OCOC2C=C1)(N\N=C\C=1C=CC(C#N)=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.86349