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2-[(4-Chlorophenyl)sulfanyl]ethanamine, ac derivative

View entire compound with spectra: 1 NMR, and 1 FTIR

2-[(4-Chlorophenyl)sulfanyl]ethanamine, ac derivative
SpectraBase Compound ID 9S8QidRvO4s
InChI InChI=1S/C10H12ClNOS/c1-8(13)12-6-7-14-10-4-2-9(11)3-5-10/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey RSJRMRRNTXMGPY-UHFFFAOYSA-N
Mol Weight 229.72 g/mol
Molecular Formula C10H12ClNOS
Exact Mass 229.032813 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GTPQvaHQEsm
Name 2-[(4-Chlorophenyl)sulfanyl]ethanamine, ac derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 229.032812883 u
Formula C10H12ClNOS
InChI InChI=1S/C10H12ClNOS/c1-8(13)12-6-7-14-10-4-2-9(11)3-5-10/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey RSJRMRRNTXMGPY-UHFFFAOYSA-N
Molecular Weight 229.725 g/mol
SMILES CC(=O)NCCSC=1C=CC(Cl)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868315