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6-Nitro-2-phenyl-2,3-dihydroquinazoline-4(1H)-thione

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

6-Nitro-2-phenyl-2,3-dihydroquinazoline-4(1H)-thione
SpectraBase Compound ID CJLShSopRYW
InChI InChI=1S/C14H11N3O2S/c18-17(19)10-6-7-12-11(8-10)14(20)16-13(15-12)9-4-2-1-3-5-9/h1-8,13,15H,(H,16,20)
InChIKey FBYTYUCCVLVYPD-UHFFFAOYSA-N
Mol Weight 285.32 g/mol
Molecular Formula C14H11N3O2S
Exact Mass 285.057198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CvukMozcSWU
Name 6-Nitro-2-phenyl-2,3-dihydroquinazoline-4(1H)-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 285.057197778 u
Formula C14H11N3O2S
InChI InChI=1S/C14H11N3O2S/c18-17(19)10-6-7-12-11(8-10)14(20)16-13(15-12)9-4-2-1-3-5-9/h1-8,13,15H,(H,16,20)
InChIKey FBYTYUCCVLVYPD-UHFFFAOYSA-N
SMILES C1(=CC=C2C(=C1)C(NC(C1=CC=CC=C1)N2)=S)[N+](=O)[O-]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941692