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

*Links on SpectraBase are not permalinks.
1-2-[4-bromo-2-(4-oxo-2-thioxothiazolidin-5-ylidenemethyl)phenoxy]ethyl-3-ethyl-1-methylurea
SpectraBase Compound ID 48xzzcPf4C0
InChI InChI=1S/C16H18BrN3O3S2/c1-3-18-15(22)20(2)6-7-23-12-5-4-11(17)8-10(12)9-13-14(21)19-16(24)25-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,22)(H,19,21,24)
InChIKey UJXBRPBLEQTQIL-UHFFFAOYSA-N
Mol Weight 444.36 g/mol
Molecular Formula C16H18BrN3O3S2
Exact Mass 442.997297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 4UPrkjS2unG
Name 1-2-[4-bromo-2-(4-oxo-2-thioxothiazolidin-5-ylidenemethyl)phenoxy]ethyl-3-ethyl-1-methylurea
Appearance Yellowish solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18BrN3O3S2
InChI InChI=1S/C16H18BrN3O3S2/c1-3-18-15(22)20(2)6-7-23-12-5-4-11(17)8-10(12)9-13-14(21)19-16(24)25-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,22)(H,19,21,24)
InChIKey UJXBRPBLEQTQIL-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 444.362 g/mol
SMILES N1C(C(=Cc2c(OCCN(C(NCC)=O)C)ccc(c2)Br)SC1=S)=O
SPLASH splash10-0006-9200000000-a004e03f68f3c9cf309d
Source of Spectrum US8148541B2
Wiley ID 1845182