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5,6-bis(Butylthio)-benzo-18-crown-6

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

5,6-bis(Butylthio)-benzo-18-crown-6
SpectraBase Compound ID 1mxacCeHabP
InChI InChI=1S/C24H40O6S2/c1-3-5-17-31-23-19-21-22(20-24(23)32-18-6-4-2)30-16-14-28-12-10-26-8-7-25-9-11-27-13-15-29-21/h19-20H,3-18H2,1-2H3
InChIKey FANPBEITCYHSLJ-UHFFFAOYSA-N
Mol Weight 488.7 g/mol
Molecular Formula C24H40O6S2
Exact Mass 488.226631 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FJSODdC5ANV
Name 5,6-bis(Butylthio)-benzo-18-crown-6
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.226631350 u
Formula C24H40O6S2
InChI InChI=1S/C24H40O6S2/c1-3-5-17-31-23-19-21-22(20-24(23)32-18-6-4-2)30-16-14-28-12-10-26-8-7-25-9-11-27-13-15-29-21/h19-20H,3-18H2,1-2H3
InChIKey FANPBEITCYHSLJ-UHFFFAOYSA-N
Molecular Weight 488.698 g/mol
SMILES C=1C2=C(OCCOCCOCCOCCOCCO2)C=C(C1SCCCC)SCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.985546