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3-(9-(Butylthio)nonyl)-4-methylfuran-2,5-dione

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

3-(9-(Butylthio)nonyl)-4-methylfuran-2,5-dione
SpectraBase Compound ID 4mei7ZexbUX
InChI InChI=1S/C18H30O3S/c1-3-4-13-22-14-11-9-7-5-6-8-10-12-16-15(2)17(19)21-18(16)20/h3-14H2,1-2H3
InChIKey WTHVSODNSLOVRT-UHFFFAOYSA-N
Mol Weight 326.5 g/mol
Molecular Formula C18H30O3S
Exact Mass 326.191566 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CISq74NHESZ
Name 3-(9-(Butylthio)nonyl)-4-methylfuran-2,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.191565997 u
Formula C18H30O3S
InChI InChI=1S/C18H30O3S/c1-3-4-13-22-14-11-9-7-5-6-8-10-12-16-15(2)17(19)21-18(16)20/h3-14H2,1-2H3
InChIKey WTHVSODNSLOVRT-UHFFFAOYSA-N
Molecular Weight 326.495 g/mol
SMILES C1(C(=C(C)C(=O)O1)CCCCCCCCCSCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941228