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3-Phenethyl-8-thia-3-azabicyclo[3.2.1]octane, hydrochloride

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

3-Phenethyl-8-thia-3-azabicyclo[3.2.1]octane, hydrochloride
SpectraBase Compound ID 4lyAmoQ3t5A
InChI InChI=1S/C14H19NS.ClH/c1-2-4-12(5-3-1)8-9-15-10-13-6-7-14(11-15)16-13;/h1-5,13-14H,6-11H2;1H
InChIKey CIQMERIXAZNDQA-UHFFFAOYSA-N
Mol Weight 269.83 g/mol
Molecular Formula C14H20ClNS
Exact Mass 269.100499 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 3VCQozJW0nY
Name 3-Phenethyl-8-thia-3-azabicyclo[3.2.1]octane, hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.100498522 u
Formula C14H20ClNS
InChI InChI=1S/C14H19NS.ClH/c1-2-4-12(5-3-1)8-9-15-10-13-6-7-14(11-15)16-13;/h1-5,13-14H,6-11H2;1H
InChIKey CIQMERIXAZNDQA-UHFFFAOYSA-N
Molecular Weight 269.834 g/mol
SMILES Cl.C1C2CN(CC(C1)S2)CCC=1C=CC=CC1
Spectrum/Structure Validation Score (Raman) 0.987988