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3,5-Ditert-butyl-2,7-dihydrothiepin 1,1-dioxide

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

3,5-Ditert-butyl-2,7-dihydrothiepin 1,1-dioxide
SpectraBase Compound ID KPQkEGkehOK
InChI InChI=1S/C14H24O2S/c1-13(2,3)11-7-8-17(15,16)10-12(9-11)14(4,5)6/h7,9H,8,10H2,1-6H3
InChIKey CAJYBVCHYXFXII-UHFFFAOYSA-N
Mol Weight 256.4 g/mol
Molecular Formula C14H24O2S
Exact Mass 256.149701 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FJFigzo732j
Name 3,5-Ditert-butyl-2,7-dihydrothiepin 1,1-dioxide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.149701185 u
Formula C14H24O2S
InChI InChI=1S/C14H24O2S/c1-13(2,3)11-7-8-17(15,16)10-12(9-11)14(4,5)6/h7,9H,8,10H2,1-6H3
InChIKey CAJYBVCHYXFXII-UHFFFAOYSA-N
Molecular Weight 256.404 g/mol
SMILES C1S(CC=C(C=C1C(C)(C)C)C(C)(C)C)(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961135