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Thiosalicylic acid, S-isopropyloxycarbonyl-

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Thiosalicylic acid, S-isopropyloxycarbonyl-
SpectraBase Compound ID 35BnLub9ZcW
InChI InChI=1S/C11H12O4S/c1-7(2)15-11(14)16-9-6-4-3-5-8(9)10(12)13/h3-7H,1-2H3,(H,12,13)
InChIKey MTMXTYFRMPIYAH-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 IOrtXwxBuST
Name Thiosalicylic acid, S-isopropyloxycarbonyl-
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/c1-7(2)15-11(14)16-9-6-4-3-5-8(9)10(12)13/h3-7H,1-2H3,(H,12,13)
InChIKey MTMXTYFRMPIYAH-UHFFFAOYSA-N
Molecular Weight 240.273 g/mol
SMILES C1(=CC=CC=C1C(=O)O)SC(OC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.827989