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2-Benzoyl-4-pentenedithioic acid prop-2-enyl ester

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2-Benzoyl-4-pentenedithioic acid prop-2-enyl ester
SpectraBase Compound ID 5j5UyXIQbzG
InChI InChI=1S/C15H16OS2/c1-3-8-13(15(17)18-11-4-2)14(16)12-9-6-5-7-10-12/h3-7,9-10,13H,1-2,8,11H2
InChIKey JOODSWYOFWTAID-UHFFFAOYSA-N
Mol Weight 276.41 g/mol
Molecular Formula C15H16OS2
Exact Mass 276.064257 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FW1HkeeHNYg
Name 2-Benzoyl-4-pentenedithioic acid prop-2-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.064257482 u
Formula C15H16OS2
InChI InChI=1S/C15H16OS2/c1-3-8-13(15(17)18-11-4-2)14(16)12-9-6-5-7-10-12/h3-7,9-10,13H,1-2,8,11H2
InChIKey JOODSWYOFWTAID-UHFFFAOYSA-N
SMILES C(C(=O)C1=CC=CC=C1)(C(=S)SCC=C)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953787