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2-Phenyl-5,6-dihydro-1,3,5-thiadiazine-4,6-dione

View entire compound with spectra: 1 FTIR

2-Phenyl-5,6-dihydro-1,3,5-thiadiazine-4,6-dione
SpectraBase Compound ID Ccn61x3Z0sK
InChI InChI=1S/C9H6N2O2S/c12-8-10-7(14-9(13)11-8)6-4-2-1-3-5-6/h1-5H,(H,11,12,13)
InChIKey PRUASRFCAJECMS-UHFFFAOYSA-N
Mol Weight 206.22 g/mol
Molecular Formula C9H6N2O2S
Exact Mass 206.014999 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cb1fq0sTeUW
Name 2-Phenyl-5,6-dihydro-1,3,5-thiadiazine-4,6-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.014998613 u
Formula C9H6N2O2S
InChI InChI=1S/C9H6N2O2S/c12-8-10-7(14-9(13)11-8)6-4-2-1-3-5-6/h1-5H,(H,11,12,13)
InChIKey PRUASRFCAJECMS-UHFFFAOYSA-N
Molecular Weight 206.219 g/mol
SMILES C1=CC(=CC=C1)C=1SC(NC(N1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.841157