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1-Benzylpyrimidine-2,4(1H,3H)-dithione

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

1-Benzylpyrimidine-2,4(1H,3H)-dithione
SpectraBase Compound ID ArInrxAPXFn
InChI InChI=1S/C11H10N2S2/c14-10-6-7-13(11(15)12-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,14,15)
InChIKey BUWMXFRGSMKHIP-UHFFFAOYSA-N
Mol Weight 234.33 g/mol
Molecular Formula C11H10N2S2
Exact Mass 234.028541 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AwuT92B6yxF
Name 1-Benzylpyrimidine-2,4(1H,3H)-dithione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.028540678 u
Formula C11H10N2S2
InChI InChI=1S/C11H10N2S2/c14-10-6-7-13(11(15)12-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,14,15)
InChIKey BUWMXFRGSMKHIP-UHFFFAOYSA-N
Molecular Weight 234.335 g/mol
SMILES C1(=S)NC(=S)C=CN1CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862839