Systematic / IUPAC Name: 3-[2-(3,4-Dimethoxyphenyl)ethyl]-1,1-dimethylthiourea
ID: Reference4189
Other Names: Thiourea, N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-dimethyl-
Formula: C13H20N2O2S
N'-(3,4-Dimethoxyphenethyl)-N,N-dimethylthiourea mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Orbitrap |
No. of Spectral Trees | 1 |
No. of Spectra | 119 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 3/14/2016 12:21:00 PM |
InChI | InChI=1S/C13H20N2O2S/c1-15(2)13(18)14-8-7-10-5-6-11(16-3)12(9-10)17-4/h5-6,9H,7-8H2,1-4H3,(H,14,18) |
InChI Key | MNAYFOKNPTZUNC-UHFFFAOYSA-N |
Canonical SMILES | CN(C)C(=S)NCCC1=CC(=C(C=C1)OC)OC |
CAS | |
Splash | |
Other Names | Thiourea, N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-dimethyl- |
ChEMBL | CHEMBL1491918 |
ChemSpider | 2012971 |
PubChem | 2731062 |