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Picolinyl 3-thia-laurate

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Picolinyl 3-thia-laurate
SpectraBase Compound ID 427bkCjdGA8
InChI InChI=1S/C17H27NO2S/c1-2-3-4-5-6-7-8-12-21-15-17(19)20-14-16-10-9-11-18-13-16/h9-11,13H,2-8,12,14-15H2,1H3
InChIKey WOEBQLVLIOEUHA-UHFFFAOYSA-N
Mol Weight 309.47 g/mol
Molecular Formula C17H27NO2S
Exact Mass 309.17625 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Jhu1uuBf9dl
Name Picolinyl 3-thia-laurate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.176250285 u
Formula C17H27NO2S
InChI InChI=1S/C17H27NO2S/c1-2-3-4-5-6-7-8-12-21-15-17(19)20-14-16-10-9-11-18-13-16/h9-11,13H,2-8,12,14-15H2,1H3
InChIKey WOEBQLVLIOEUHA-UHFFFAOYSA-N
Molecular Weight 309.468 g/mol
SMILES C(SCCCCCCCCC)C(=O)OCC1=CC=CN=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92237