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11-(2-Bromoethyl)-11-cyano-6,11-dihydrodibenzo[B,E]thiepine

View entire compound with spectra: 1 FTIR

11-(2-Bromoethyl)-11-cyano-6,11-dihydrodibenzo[B,E]thiepine
SpectraBase Compound ID 7DNQl9liyUg
InChI InChI=1S/C17H14BrNS/c18-10-9-17(12-19)14-6-2-1-5-13(14)11-20-16-8-4-3-7-15(16)17/h1-8H,9-11H2
InChIKey SZXXYGUXYOOZIF-UHFFFAOYSA-N
Mol Weight 344.27 g/mol
Molecular Formula C17H14BrNS
Exact Mass 343.003034 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 941lV4MLVs2
Name 11-(2-Bromoethyl)-11-cyano-6,11-dihydrodibenzo[B,E]thiepine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.003033629 u
Formula C17H14BrNS
InChI InChI=1S/C17H14BrNS/c18-10-9-17(12-19)14-6-2-1-5-13(14)11-20-16-8-4-3-7-15(16)17/h1-8H,9-11H2
InChIKey SZXXYGUXYOOZIF-UHFFFAOYSA-N
Molecular Weight 344.270 g/mol
SMILES C12=C(CSC=3C(C2(CCBr)C#N)=CC=CC3)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.82327