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2-[(4-Chlorophenyl)thio]-1-phenylethanamine

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

2-[(4-Chlorophenyl)thio]-1-phenylethanamine
SpectraBase Compound ID Jkle5zvWmDv
InChI InChI=1S/C14H14ClNS/c15-12-6-8-13(9-7-12)17-10-14(16)11-4-2-1-3-5-11/h1-9,14H,10,16H2
InChIKey CAVLVTAHWOFSCM-UHFFFAOYSA-N
Mol Weight 263.79 g/mol
Molecular Formula C14H14ClNS
Exact Mass 263.053548 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2Q2QV1acAoz
Name 2-[(4-Chlorophenyl)thio]-1-phenylethanamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.053548329 u
Formula C14H14ClNS
InChI InChI=1S/C14H14ClNS/c15-12-6-8-13(9-7-12)17-10-14(16)11-4-2-1-3-5-11/h1-9,14H,10,16H2
InChIKey CAVLVTAHWOFSCM-UHFFFAOYSA-N
Molecular Weight 263.786 g/mol
SMILES C(CSC=1C=CC(=CC1)Cl)(N)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964783