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Thiophenol, 3,5-dimethyl-S-ethylthiothioncarbonate

View entire compound with spectra: 1 FTIR

Thiophenol, 3,5-dimethyl-S-ethylthiothioncarbonate
SpectraBase Compound ID 1pktSOVq9Je
InChI InChI=1S/C11H14S3/c1-4-13-11(12)14-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3
InChIKey HOJDMTNKQASFOT-UHFFFAOYSA-N
Mol Weight 242.41 g/mol
Molecular Formula C11H14S3
Exact Mass 242.025764 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FqpIExIzAK0
Name Thiophenol, 3,5-dimethyl-S-ethylthiothioncarbonate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.025763973 u
Formula C11H14S3
InChI InChI=1S/C11H14S3/c1-4-13-11(12)14-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3
InChIKey HOJDMTNKQASFOT-UHFFFAOYSA-N
Molecular Weight 242.413 g/mol
SMILES C1=C(C=C(C=C1C)C)SC(=S)SCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.84302