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2-Ethylthio-4-oxo-4H-1-benzothiin-3-carbaldehyde

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

2-Ethylthio-4-oxo-4H-1-benzothiin-3-carbaldehyde
SpectraBase Compound ID AsRKKnSEzhC
InChI InChI=1S/C12H10O2S2/c1-2-15-12-9(7-13)11(14)8-5-3-4-6-10(8)16-12/h3-7H,2H2,1H3
InChIKey ZFTVOSOHWQNLKI-UHFFFAOYSA-N
Mol Weight 250.33 g/mol
Molecular Formula C12H10O2S2
Exact Mass 250.012222 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6AwravfcrCe
Name 2-Ethylthio-4-oxo-4H-1-benzothiin-3-carbaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.012221908 u
Formula C12H10O2S2
InChI InChI=1S/C12H10O2S2/c1-2-15-12-9(7-13)11(14)8-5-3-4-6-10(8)16-12/h3-7H,2H2,1H3
InChIKey ZFTVOSOHWQNLKI-UHFFFAOYSA-N
Molecular Weight 250.330 g/mol
SMILES C=1(SC=2C(C(C1C=O)=O)=CC=CC2)SCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.846059