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

*Links on SpectraBase are not permalinks.

1-(1,2-Dithiocyanatoethyl)-4-methoxybenzene

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

1-(1,2-Dithiocyanatoethyl)-4-methoxybenzene
SpectraBase Compound ID 52NjcXs7ScD
InChI InChI=1S/C11H10N2OS2/c1-14-10-4-2-9(3-5-10)11(16-8-13)6-15-7-12/h2-5,11H,6H2,1H3
InChIKey RATKFALCPKCLOY-UHFFFAOYSA-N
Mol Weight 250.33 g/mol
Molecular Formula C11H10N2OS2
Exact Mass 250.023455 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 LvWgKcbv6Js
Name 1-(1,2-Dithiocyanatoethyl)-4-methoxybenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.023455297 u
Formula C11H10N2OS2
InChI InChI=1S/C11H10N2OS2/c1-14-10-4-2-9(3-5-10)11(16-8-13)6-15-7-12/h2-5,11H,6H2,1H3
InChIKey RATKFALCPKCLOY-UHFFFAOYSA-N
Molecular Weight 250.334 g/mol
SMILES C=1(C=CC(=CC1)OC)C(CSC#N)SC#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952447