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3-Cinnamylbenzoxazole-2-thione

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

3-Cinnamylbenzoxazole-2-thione
SpectraBase Compound ID EQMHMSKd6BN
InChI InChI=1S/C16H13NOS/c19-16-17(14-10-4-5-11-15(14)18-16)12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+
InChIKey IHQYUBLTAYTTFJ-RMKNXTFCSA-N
Mol Weight 267.35 g/mol
Molecular Formula C16H13NOS
Exact Mass 267.071785 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B8bFs8Dk723
Name 3-Cinnamylbenzoxazole-2-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.071785216 u
Formula C16H13NOS
InChI InChI=1S/C16H13NOS/c19-16-17(14-10-4-5-11-15(14)18-16)12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+
InChIKey IHQYUBLTAYTTFJ-RMKNXTFCSA-N
Molecular Weight 267.346 g/mol
SMILES C1(N(C2=CC=CC=C2O1)C\C=C\C=1C=CC=CC1)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955043