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1,10-Dithia-4,7,13-trioxa-5,6-(4'-bromobenzo)cyclopentadec-5-ene

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

1,10-Dithia-4,7,13-trioxa-5,6-(4'-bromobenzo)cyclopentadec-5-ene
SpectraBase Compound ID 3yg0qzJRSCB
InChI InChI=1S/C14H19BrO3S2/c15-12-1-2-13-14(11-12)18-6-10-20-8-4-16-3-7-19-9-5-17-13/h1-2,11H,3-10H2
InChIKey RCRJUCDJHNPGKH-UHFFFAOYSA-N
Mol Weight 379.33 g/mol
Molecular Formula C14H19BrO3S2
Exact Mass 377.9959 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IehzZJsic9p
Name 1,10-Dithia-4,7,13-trioxa-5,6-(4'-bromobenzo)cyclopentadec-5-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.995899817 u
Formula C14H19BrO3S2
InChI InChI=1S/C14H19BrO3S2/c15-12-1-2-13-14(11-12)18-6-10-20-8-4-16-3-7-19-9-5-17-13/h1-2,11H,3-10H2
InChIKey RCRJUCDJHNPGKH-UHFFFAOYSA-N
Molecular Weight 379.327 g/mol
SMILES C12=CC(Br)=CC=C2OCCSCCOCCSCCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.821067