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1-(Methylamino)-2-sulfanylanthracene-9,10-dione

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1-(Methylamino)-2-sulfanylanthracene-9,10-dione
SpectraBase Compound ID 55w8QHj03FV
InChI InChI=1S/C15H11NO2S/c1-16-13-11(19)7-6-10-12(13)15(18)9-5-3-2-4-8(9)14(10)17/h2-7,16,19H,1H3
InChIKey VPMNFXJHOUGLOM-UHFFFAOYSA-N
Mol Weight 269.32 g/mol
Molecular Formula C15H11NO2S
Exact Mass 269.05105 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JHmj8sAfufU
Name 1-(Methylamino)-2-sulfanylanthracene-9,10-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.051049770 u
Formula C15H11NO2S
InChI InChI=1S/C15H11NO2S/c1-16-13-11(19)7-6-10-12(13)15(18)9-5-3-2-4-8(9)14(10)17/h2-7,16,19H,1H3
InChIKey VPMNFXJHOUGLOM-UHFFFAOYSA-N
SMILES C1=C2C(C(C=3C(C2=O)=CC=CC3)=O)=C(C(=C1)S)NC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92116