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Dinaphtho[2,1-B:1',2'-D]pyran-4-thione

View entire compound with spectra: 1 FTIR

Dinaphtho[2,1-B:1',2'-D]pyran-4-thione
SpectraBase Compound ID 7N9U04E1mfX
InChI InChI=1S/C21H12OS/c23-21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22-21/h1-12H
InChIKey MTKIWWFMVDXDDG-UHFFFAOYSA-N
Mol Weight 312.39 g/mol
Molecular Formula C21H12OS
Exact Mass 312.060886 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Lqsw3ESs1Hh
Name Dinaphtho[2,1-B:1',2'-D]pyran-4-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.060886179 u
Formula C21H12OS
InChI InChI=1S/C21H12OS/c23-21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22-21/h1-12H
InChIKey MTKIWWFMVDXDDG-UHFFFAOYSA-N
SMILES C1=CC=C2C(=C1)C=CC1=C2C2=C(OC1=S)C=CC1=C2C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.829108