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(S)-1-(4-Chlorophenyl)but-3-en-1-amine

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

(S)-1-(4-Chlorophenyl)but-3-en-1-amine
SpectraBase Compound ID 97gL4lRIsNE
InChI InChI=1S/C10H12ClN/c1-2-3-10(12)8-4-6-9(11)7-5-8/h2,4-7,10H,1,3,12H2/t10-/m0/s1
InChIKey SFOASJZIFJZSNZ-JTQLQIEISA-N
Mol Weight 181.67 g/mol
Molecular Formula C10H12ClN
Exact Mass 181.065827 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AcFRkNGHiW4
Name (S)-1-(4-Chlorophenyl)but-3-en-1-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 181.065827090 u
Formula C10H12ClN
InChI InChI=1S/C10H12ClN/c1-2-3-10(12)8-4-6-9(11)7-5-8/h2,4-7,10H,1,3,12H2/t10-/m0/s1
InChIKey SFOASJZIFJZSNZ-JTQLQIEISA-N
Molecular Weight 181.666 g/mol
SMILES C=1(C=CC(=CC1)Cl)[C@@](N)(CC=C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951419