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1-(o-Chlorophenyl)-4-thiobenzylpiperazine

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 3 UV-Vis

1-(o-Chlorophenyl)-4-thiobenzylpiperazine
SpectraBase Compound ID Jvf2FpJzakE
InChI InChI=1S/C17H17ClN2S/c18-15-8-4-5-9-16(15)19-10-12-20(13-11-19)17(21)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKey QVKAHOANJGNMNE-UHFFFAOYSA-N
Mol Weight 316.85 g/mol
Molecular Formula C17H17ClN2S
Exact Mass 316.080097 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID FhEsvU3c0R6
Name 1-(o-Chlorophenyl)-4-thiobenzylpiperazine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.080097429 u
Formula C17H17ClN2S
InChI InChI=1S/C17H17ClN2S/c18-15-8-4-5-9-16(15)19-10-12-20(13-11-19)17(21)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKey QVKAHOANJGNMNE-UHFFFAOYSA-N
Molecular Weight 316.850 g/mol
SMILES C=1C(=C(C=CC1)Cl)N1CCN(CC1)C(=S)C=1C=CC=CC1
Spectrum/Structure Validation Score (Raman) 0.993459