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6,7-Methylenedioxy-1-(methylthio)-3-phenylnaphthalene

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

6,7-Methylenedioxy-1-(methylthio)-3-phenylnaphthalene
SpectraBase Compound ID 9SCwZgueWkQ
InChI InChI=1S/C18H14O2S/c1-21-18-9-13(12-5-3-2-4-6-12)7-14-8-16-17(10-15(14)18)20-11-19-16/h2-10H,11H2,1H3
InChIKey AFVHRUOXDTWKJE-UHFFFAOYSA-N
Mol Weight 294.37 g/mol
Molecular Formula C18H14O2S
Exact Mass 294.071451 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5IYcjVnLCfV
Name 6,7-Methylenedioxy-1-(methylthio)-3-phenylnaphthalene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.071450863 u
Formula C18H14O2S
InChI InChI=1S/C18H14O2S/c1-21-18-9-13(12-5-3-2-4-6-12)7-14-8-16-17(10-15(14)18)20-11-19-16/h2-10H,11H2,1H3
InChIKey AFVHRUOXDTWKJE-UHFFFAOYSA-N
Molecular Weight 294.368 g/mol
SMILES C=12C(C=C3C(=C2)OCO3)=C(SC)C=C(C1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892475