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Anti-6,9,15,18-tetramethoxy-2,11-dithia[3.3]metacyclophane
SpectraBase Compound ID 5CTQWhWsc69
InChI InChI=1S/C20H24O4S2/c1-21-17-5-13-9-25-11-15-7-18(22-2)8-16(20(15)24-4)12-26-10-14(6-17)19(13)23-3/h5-8H,9-12H2,1-4H3
InChIKey RVYGESYIXYXPPK-UHFFFAOYSA-N
Mol Weight 392.53 g/mol
Molecular Formula C20H24O4S2
Exact Mass 392.111602 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JHxJQo5NY8s
Name Anti-6,9,15,18-tetramethoxy-2,11-dithia[3.3]metacyclophane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.111601597 u
Formula C20H24O4S2
InChI InChI=1S/C20H24O4S2/c1-21-17-5-13-9-25-11-15-7-18(22-2)8-16(20(15)24-4)12-26-10-14(6-17)19(13)23-3/h5-8H,9-12H2,1-4H3
InChIKey RVYGESYIXYXPPK-UHFFFAOYSA-N
Molecular Weight 392.528 g/mol
SMILES C12=C(C(CSCC=3C(=C(CSC2)C=C(C3)OC)OC)=CC(=C1)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876131