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Tetradecanoic acid, 2-mercapto-

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Tetradecanoic acid, 2-mercapto-
SpectraBase Compound ID JR51l1iYNqU
InChI InChI=1S/C14H28O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13(17)14(15)16/h13,17H,2-12H2,1H3,(H,15,16)
InChIKey ITOLXGQFDAFXMV-UHFFFAOYSA-N
Mol Weight 260.44 g/mol
Molecular Formula C14H28O2S
Exact Mass 260.181001 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9pxnAn55rb7
Name Tetradecanoic acid, 2-mercapto-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.181001314 u
Formula C14H28O2S
InChI InChI=1S/C14H28O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13(17)14(15)16/h13,17H,2-12H2,1H3,(H,15,16)
InChIKey ITOLXGQFDAFXMV-UHFFFAOYSA-N
Molecular Weight 260.436 g/mol
SMILES C(=O)(C(S)CCCCCCCCCCCC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908823