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Trans-m-(3-(p-(methylthio)phenyl)acryloyl)benzonitrile
SpectraBase Compound ID Ej4Nst7uLkf
InChI InChI=1S/C17H13NOS/c1-20-16-8-5-13(6-9-16)7-10-17(19)15-4-2-3-14(11-15)12-18/h2-11H,1H3/b10-7+
InChIKey HYJQPERGDPOAKH-JXMROGBWSA-N
Mol Weight 279.36 g/mol
Molecular Formula C17H13NOS
Exact Mass 279.071785 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AOF5ln2lNN9
Name Trans-m-(3-(p-(methylthio)phenyl)acryloyl)benzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.071785216 u
Formula C17H13NOS
InChI InChI=1S/C17H13NOS/c1-20-16-8-5-13(6-9-16)7-10-17(19)15-4-2-3-14(11-15)12-18/h2-11H,1H3/b10-7+
InChIKey HYJQPERGDPOAKH-JXMROGBWSA-N
Molecular Weight 279.357 g/mol
SMILES C1=C(C(\C=C\C2=CC=C(C=C2)SC)=O)C=C(C=C1)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89756