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Methyl thiosalicylate, S-ethoxycarbonyl-

View entire compound with spectra: 1 FTIR

Methyl thiosalicylate, S-ethoxycarbonyl-
SpectraBase Compound ID K9fIswXPMUk
InChI InChI=1S/C11H12O4S/c1-3-15-11(13)16-9-7-5-4-6-8(9)10(12)14-2/h4-7H,3H2,1-2H3
InChIKey XXVOZKWCGJCHIG-UHFFFAOYSA-N
Mol Weight 240.27 g/mol
Molecular Formula C11H12O4S
Exact Mass 240.04563 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2IP16S5hlhR
Name Methyl thiosalicylate, S-ethoxycarbonyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.045630036 u
Formula C11H12O4S
InChI InChI=1S/C11H12O4S/c1-3-15-11(13)16-9-7-5-4-6-8(9)10(12)14-2/h4-7H,3H2,1-2H3
InChIKey XXVOZKWCGJCHIG-UHFFFAOYSA-N
Molecular Weight 240.273 g/mol
SMILES C1(=CC=CC=C1C(=O)OC)SC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945311