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2-(Benzylthio)-2-imidazoline, monohydrochloride

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

2-(Benzylthio)-2-imidazoline, monohydrochloride
SpectraBase Compound ID 1zp5KaewXxL
InChI InChI=1S/C10H12N2S.ClH/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10;/h1-5H,6-8H2,(H,11,12);1H
InChIKey NBMZJZXZDLSANU-UHFFFAOYSA-N
Mol Weight 228.74 g/mol
Molecular Formula C10H13ClN2S
Exact Mass 228.048797 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2ydtngGzAh3
Name 2-(Benzylthio)-2-imidazoline, monohydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.048797301 u
Formula C10H13ClN2S
InChI InChI=1S/C10H12N2S.ClH/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10;/h1-5H,6-8H2,(H,11,12);1H
InChIKey NBMZJZXZDLSANU-UHFFFAOYSA-N
Molecular Weight 228.741 g/mol
SMILES Cl.N1C(=NCC1)SCC=1C=CC=CC1
Spectrum/Structure Validation Score (Raman) 0.988989