For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-[5-Methylpyrrolidine-1-(benzyloxycarbonyl)-2-ylidene]-1,3-dithiane

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

2-[5-Methylpyrrolidine-1-(benzyloxycarbonyl)-2-ylidene]-1,3-dithiane
SpectraBase Compound ID 8JKaeVho8tb
InChI InChI=1S/C17H21NO2S2/c1-13-8-9-15(16-21-10-5-11-22-16)18(13)17(19)20-12-14-6-3-2-4-7-14/h2-4,6-7,13H,5,8-12H2,1H3
InChIKey BQIAIWBLNHNHHG-UHFFFAOYSA-N
Mol Weight 335.48 g/mol
Molecular Formula C17H21NO2S2
Exact Mass 335.101371 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JPBtkhCwV7z
Name 2-[5-Methylpyrrolidine-1-(benzyloxycarbonyl)-2-ylidene]-1,3-dithiane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.101371266 u
Formula C17H21NO2S2
InChI InChI=1S/C17H21NO2S2/c1-13-8-9-15(16-21-10-5-11-22-16)18(13)17(19)20-12-14-6-3-2-4-7-14/h2-4,6-7,13H,5,8-12H2,1H3
InChIKey BQIAIWBLNHNHHG-UHFFFAOYSA-N
Molecular Weight 335.480 g/mol
SMILES C1(N(C(CC1)C)C(OCC=1C=CC=CC1)=O)=C1SCCCS1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90901