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4-Methyl-7-(2-methylbenzyl)oxy-chromene-2-thione

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

4-Methyl-7-(2-methylbenzyl)oxy-chromene-2-thione
SpectraBase Compound ID EWFoPFpqtOe
InChI InChI=1S/C18H16O2S/c1-12-5-3-4-6-14(12)11-19-15-7-8-16-13(2)9-18(21)20-17(16)10-15/h3-10H,11H2,1-2H3
InChIKey MBCKBKYYKSPNLH-UHFFFAOYSA-N
Mol Weight 296.38 g/mol
Molecular Formula C18H16O2S
Exact Mass 296.087101 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KMUb6HlnBsX
Name 4-Methyl-7-(2-methylbenzyl)oxy-chromene-2-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.087100927 u
Formula C18H16O2S
InChI InChI=1S/C18H16O2S/c1-12-5-3-4-6-14(12)11-19-15-7-8-16-13(2)9-18(21)20-17(16)10-15/h3-10H,11H2,1-2H3
InChIKey MBCKBKYYKSPNLH-UHFFFAOYSA-N
SMILES C1=2OC(=S)C=C(C2C=CC(=C1)OCC=1C(C)=CC=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.886703