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Thioglycolic acid, S-isopropyloxycarbonyl-, isopropyl ester

View entire compound with spectra: 1 FTIR

Thioglycolic acid, S-isopropyloxycarbonyl-, isopropyl ester
SpectraBase Compound ID C14pORcYysA
InChI InChI=1S/C9H16O4S/c1-6(2)12-8(10)5-14-9(11)13-7(3)4/h6-7H,5H2,1-4H3
InChIKey WHRVJNSWECJCFT-UHFFFAOYSA-N
Mol Weight 220.28 g/mol
Molecular Formula C9H16O4S
Exact Mass 220.07693 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JyvjsLVoD0L
Name Thioglycolic acid, S-isopropyloxycarbonyl-, isopropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.076930165 u
Formula C9H16O4S
InChI InChI=1S/C9H16O4S/c1-6(2)12-8(10)5-14-9(11)13-7(3)4/h6-7H,5H2,1-4H3
InChIKey WHRVJNSWECJCFT-UHFFFAOYSA-N
Molecular Weight 220.283 g/mol
SMILES C(SC(OC(C)C)=O)C(OC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970585