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5-(2-Hydroxyphenyl)-1,3,4-oxadiazole-2(3H)-thione, 2ac derivative

View entire compound with spectra: 1 FTIR

5-(2-Hydroxyphenyl)-1,3,4-oxadiazole-2(3H)-thione, 2ac derivative
SpectraBase Compound ID 3qTHbHzkUwS
InChI InChI=1S/C12H10N2O4S/c1-7(15)14-12(19)18-11(13-14)9-5-3-4-6-10(9)17-8(2)16/h3-6H,1-2H3
InChIKey DMLJXDMBXJOWNK-UHFFFAOYSA-N
Mol Weight 278.28 g/mol
Molecular Formula C12H10N2O4S
Exact Mass 278.036128 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ieicyn7KfDg
Name 5-(2-Hydroxyphenyl)-1,3,4-oxadiazole-2(3H)-thione, 2ac derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.036127980 u
Formula C12H10N2O4S
InChI InChI=1S/C12H10N2O4S/c1-7(15)14-12(19)18-11(13-14)9-5-3-4-6-10(9)17-8(2)16/h3-6H,1-2H3
InChIKey DMLJXDMBXJOWNK-UHFFFAOYSA-N
SMILES C1(=C(C=CC=C1)OC(=O)C)C=1OC(=S)N(C(C)=O)N1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967299