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5-[3,4-Dimethoxybenzylidene]rhodanine

View entire compound with spectra: 1 NMR, and 1 FTIR

5-[3,4-Dimethoxybenzylidene]rhodanine
SpectraBase Compound ID FY7WzX0tGwO
InChI InChI=1S/C12H11NO3S2/c1-15-8-4-3-7(5-9(8)16-2)6-10-11(14)13-12(17)18-10/h3-6H,1-2H3,(H,13,14,17)/b10-6+
InChIKey XVAIHVYMCLRIOV-UXBLZVDNSA-N
Mol Weight 281.34 g/mol
Molecular Formula C12H11NO3S2
Exact Mass 281.018036 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hi2jQceaQy5
Name 5-[3,4-Dimethoxybenzylidene]rhodanine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.018035563 u
Formula C12H11NO3S2
InChI InChI=1S/C12H11NO3S2/c1-15-8-4-3-7(5-9(8)16-2)6-10-11(14)13-12(17)18-10/h3-6H,1-2H3,(H,13,14,17)/b10-6+
InChIKey XVAIHVYMCLRIOV-UXBLZVDNSA-N
SMILES C1(=S)NC(=O)\C(S1)=C/C1=CC=C(OC)C(OC)=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932715