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6,11-Dithia-8,9-benzospiro[3.8]dodecene

View entire compound with spectra: 2 NMR, 1 FTIR, and 3 MS (GC)

6,11-Dithia-8,9-benzospiro[3.8]dodecene
SpectraBase Compound ID 7i7kGUpm6CT
InChI InChI=1S/C14H18S2/c1-2-5-13-9-16-11-14(6-3-7-14)10-15-8-12(13)4-1/h1-2,4-5H,3,6-11H2
InChIKey DNRLDUPGNUPPCQ-UHFFFAOYSA-N
Mol Weight 250.42 g/mol
Molecular Formula C14H18S2
Exact Mass 250.084993 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A39US106OzR
Name 6,11-Dithia-8,9-benzospiro[3.8]dodecene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.084992928 u
Formula C14H18S2
InChI InChI=1S/C14H18S2/c1-2-5-13-9-16-11-14(6-3-7-14)10-15-8-12(13)4-1/h1-2,4-5H,3,6-11H2
InChIKey DNRLDUPGNUPPCQ-UHFFFAOYSA-N
Molecular Weight 250.418 g/mol
SMILES C1CCC11CSCC2=CC=CC=C2CSC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.824352