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7-(2-Fluorobenzyl)oxy-4-methyl-chromene-2-thione

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

7-(2-Fluorobenzyl)oxy-4-methyl-chromene-2-thione
SpectraBase Compound ID DDIPNCGpkEM
InChI InChI=1S/C17H13FO2S/c1-11-8-17(21)20-16-9-13(6-7-14(11)16)19-10-12-4-2-3-5-15(12)18/h2-9H,10H2,1H3
InChIKey OTKPONUEWCPVBC-UHFFFAOYSA-N
Mol Weight 300.35 g/mol
Molecular Formula C17H13FO2S
Exact Mass 300.062029 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9rvAEsD3HN4
Name 7-(2-Fluorobenzyl)oxy-4-methyl-chromene-2-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.062028994 u
Formula C17H13FO2S
InChI InChI=1S/C17H13FO2S/c1-11-8-17(21)20-16-9-13(6-7-14(11)16)19-10-12-4-2-3-5-15(12)18/h2-9H,10H2,1H3
InChIKey OTKPONUEWCPVBC-UHFFFAOYSA-N
Molecular Weight 300.347 g/mol
SMILES C1=2OC(=S)C=C(C2C=CC(=C1)OCC=1C(F)=CC=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926525