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4-[2-(2-Bromophenyl)ethanethioyl]morpholine

View entire compound with spectra: 1 FTIR

4-[2-(2-Bromophenyl)ethanethioyl]morpholine
SpectraBase Compound ID 7rOiXpasblH
InChI InChI=1S/C12H14BrNOS/c13-11-4-2-1-3-10(11)9-12(16)14-5-7-15-8-6-14/h1-4H,5-9H2
InChIKey ISEPWQRVERYWAF-UHFFFAOYSA-N
Mol Weight 300.21 g/mol
Molecular Formula C12H14BrNOS
Exact Mass 298.997948 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID xS60bipwPJ
Name 4-[2-(2-Bromophenyl)ethanethioyl]morpholine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.997948248 u
Formula C12H14BrNOS
InChI InChI=1S/C12H14BrNOS/c13-11-4-2-1-3-10(11)9-12(16)14-5-7-15-8-6-14/h1-4H,5-9H2
InChIKey ISEPWQRVERYWAF-UHFFFAOYSA-N
Molecular Weight 300.214 g/mol
SMILES C(CC1=C(C=CC=C1)Br)(=S)N1CCOCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888839