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Trans-3',4',5'-trimethoxy-4-(methylthio)chalcone

View entire compound with spectra: 1 FTIR

Trans-3',4',5'-trimethoxy-4-(methylthio)chalcone
SpectraBase Compound ID 1mzWNedZiiU
InChI InChI=1S/C19H20O4S/c1-21-17-11-14(12-18(22-2)19(17)23-3)16(20)10-7-13-5-8-15(24-4)9-6-13/h5-12H,1-4H3/b10-7+
InChIKey MQROYDAPFWFCND-JXMROGBWSA-N
Mol Weight 344.43 g/mol
Molecular Formula C19H20O4S
Exact Mass 344.10823 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EIsYmRQlXkO
Name Trans-3',4',5'-trimethoxy-4-(methylthio)chalcone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.108230294 u
Formula C19H20O4S
InChI InChI=1S/C19H20O4S/c1-21-17-11-14(12-18(22-2)19(17)23-3)16(20)10-7-13-5-8-15(24-4)9-6-13/h5-12H,1-4H3/b10-7+
InChIKey MQROYDAPFWFCND-JXMROGBWSA-N
Molecular Weight 344.425 g/mol
SMILES C1(=CC(=C(C(=C1)OC)OC)OC)C(\C=C\C1=CC=C(C=C1)SC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.890527