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(2-Bromoethyl)(octadecyl)sulfane

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

(2-Bromoethyl)(octadecyl)sulfane
SpectraBase Compound ID Lu07yc24GMk
InChI InChI=1S/C20H41BrS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h2-20H2,1H3
InChIKey VEWYAUCEPQJEKZ-UHFFFAOYSA-N
Mol Weight 393.5 g/mol
Molecular Formula C20H41BrS
Exact Mass 392.211235 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KWYteXabuyc
Name (2-Bromoethyl)(octadecyl)sulfane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.211235494 u
Formula C20H41BrS
InChI InChI=1S/C20H41BrS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h2-20H2,1H3
InChIKey VEWYAUCEPQJEKZ-UHFFFAOYSA-N
Molecular Weight 393.512 g/mol
SMILES C(SCCCCCCCCCCCCCCCCCC)CBr
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92721