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Trans-3',4'-dimethoxy-4-(methylthio)chalcone

View entire compound with spectra: 1 FTIR

Trans-3',4'-dimethoxy-4-(methylthio)chalcone
SpectraBase Compound ID 37PGgdFZyi
InChI InChI=1S/C18H18O3S/c1-20-17-11-7-14(12-18(17)21-2)16(19)10-6-13-4-8-15(22-3)9-5-13/h4-12H,1-3H3/b10-6+
InChIKey FWAAFYDERPUUOB-UXBLZVDNSA-N
Mol Weight 314.4 g/mol
Molecular Formula C18H18O3S
Exact Mass 314.097666 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7yP6gKFRW5r
Name Trans-3',4'-dimethoxy-4-(methylthio)chalcone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.097665611 u
Formula C18H18O3S
InChI InChI=1S/C18H18O3S/c1-20-17-11-7-14(12-18(17)21-2)16(19)10-6-13-4-8-15(22-3)9-5-13/h4-12H,1-3H3/b10-6+
InChIKey FWAAFYDERPUUOB-UXBLZVDNSA-N
Molecular Weight 314.399 g/mol
SMILES C1(=CC=C(C(=C1)OC)OC)C(\C=C\C1=CC=C(C=C1)SC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901986