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2-Phenylthio-1,4-naphthoquinone

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

2-Phenylthio-1,4-naphthoquinone
SpectraBase Compound ID GSbEzhj6pT8
InChI InChI=1S/C16H10O2S/c17-14-10-15(19-11-6-2-1-3-7-11)16(18)13-9-5-4-8-12(13)14/h1-10H
InChIKey YRZIOOUBKJSECZ-UHFFFAOYSA-N
Mol Weight 266.31 g/mol
Molecular Formula C16H10O2S
Exact Mass 266.040151 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3hdoCbK2Raz
Name 2-Phenylthio-1,4-naphthoquinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.040150734 u
Formula C16H10O2S
InChI InChI=1S/C16H10O2S/c17-14-10-15(19-11-6-2-1-3-7-11)16(18)13-9-5-4-8-12(13)14/h1-10H
InChIKey YRZIOOUBKJSECZ-UHFFFAOYSA-N
Molecular Weight 266.314 g/mol
SMILES C12=C(C=CC=C2)C(C(=CC1=O)SC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909289