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2-Cyanoimino-4,5-dihydro-3-methyl-5-styryl-1,3-dioxazole

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

2-Cyanoimino-4,5-dihydro-3-methyl-5-styryl-1,3-dioxazole
SpectraBase Compound ID Acmwml4cyCz
InChI InChI=1S/C13H13N3O/c1-16-9-12(17-13(16)15-10-14)8-7-11-5-3-2-4-6-11/h2-8,12H,9H2,1H3/b8-7+,15-13+
InChIKey CREFIPQJRLNGOR-QOEFFGCWSA-N
Mol Weight 227.27 g/mol
Molecular Formula C13H13N3O
Exact Mass 227.105862 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ITf0chfVlZH
Name 2-Cyanoimino-4,5-dihydro-3-methyl-5-styryl-1,3-dioxazole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.105862050 u
Formula C13H13N3O
InChI InChI=1S/C13H13N3O/c1-16-9-12(17-13(16)15-10-14)8-7-11-5-3-2-4-6-11/h2-8,12H,9H2,1H3/b8-7+,15-13+
InChIKey CREFIPQJRLNGOR-QOEFFGCWSA-N
Molecular Weight 227.267 g/mol
SMILES C1N(\C(OC1\C=C\C1=CC=CC=C1)=N/C#N)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955202