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1,3,4-Oxadiazole-2(3H)-thione, 5-(5-chloro-2-methoxyphenyl)-

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

1,3,4-Oxadiazole-2(3H)-thione, 5-(5-chloro-2-methoxyphenyl)-
SpectraBase Compound ID IGRpltrfntf
InChI InChI=1S/C9H7ClN2O2S/c1-13-7-3-2-5(10)4-6(7)8-11-12-9(15)14-8/h2-4H,1H3,(H,12,15)
InChIKey FOBNNSSNVSMNMG-UHFFFAOYSA-N
Mol Weight 242.68 g/mol
Molecular Formula C9H7ClN2O2S
Exact Mass 241.991676 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JjY2zvMSVuQ
Name 1,3,4-Oxadiazole-2(3H)-thione, 5-(5-chloro-2-methoxyphenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 241.991676345 u
Formula C9H7ClN2O2S
InChI InChI=1S/C9H7ClN2O2S/c1-13-7-3-2-5(10)4-6(7)8-11-12-9(15)14-8/h2-4H,1H3,(H,12,15)
InChIKey FOBNNSSNVSMNMG-UHFFFAOYSA-N
Molecular Weight 242.680 g/mol
SMILES C=1(OC(=S)NN1)C1=C(OC)C=CC(=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944503