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trans-hexahydro-1-phenylthio-1H-pyrrolizine

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

trans-hexahydro-1-phenylthio-1H-pyrrolizine
SpectraBase Compound ID 2KPedbxGeBN
InChI InChI=1S/C13H17NS/c1-2-5-11(6-3-1)15-13-8-10-14-9-4-7-12(13)14/h1-3,5-6,12-13H,4,7-10H2/t12-,13-/m0/s1
InChIKey OOIXXWSINWINIL-STQMWFEESA-N
Mol Weight 219.35 g/mol
Molecular Formula C13H17NS
Exact Mass 219.108171 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CLoZgCHweQS
Name Trans-hexahydro-1-phenylthio-1H-pyrrolizine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.108170725 u
Formula C13H17NS
InChI InChI=1S/C13H17NS/c1-2-5-11(6-3-1)15-13-8-10-14-9-4-7-12(13)14/h1-3,5-6,12-13H,4,7-10H2/t12-,13-/m0/s1
InChIKey OOIXXWSINWINIL-STQMWFEESA-N
Molecular Weight 219.346 g/mol
SMILES [C@@]12(N(CC[C@@]2(SC=2C=CC=CC2)[H])CCC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.814456