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

*Links on SpectraBase are not permalinks.

2-Iodo-4-phenoxy-1-(1-thiocyanato-ethoxy)-benzene

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

2-Iodo-4-phenoxy-1-(1-thiocyanato-ethoxy)-benzene
SpectraBase Compound ID Jvhnc8wSSWW
InChI InChI=1S/C15H12INO2S/c1-11(20-10-17)18-15-8-7-13(9-14(15)16)19-12-5-3-2-4-6-12/h2-9,11H,1H3
InChIKey JENXOTDVBFDADY-UHFFFAOYSA-N
Mol Weight 397.23 g/mol
Molecular Formula C15H12INO2S
Exact Mass 396.963345 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 7yty5nOhA3B
Name 2-Iodo-4-phenoxy-1-(1-thiocyanato-ethoxy)-benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.963344802 u
Formula C15H12INO2S
InChI InChI=1S/C15H12INO2S/c1-11(20-10-17)18-15-8-7-13(9-14(15)16)19-12-5-3-2-4-6-12/h2-9,11H,1H3
InChIKey JENXOTDVBFDADY-UHFFFAOYSA-N
Molecular Weight 397.230 g/mol
SMILES C(#N)SC(OC1=C(C=C(C=C1)OC=1C=CC=CC1)I)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.830692