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

*Links on SpectraBase are not permalinks.
Ethyl 3-bromo-5-cyanoisothiazole-4-carboxylate
SpectraBase Compound ID 12VzC9nwTOX
InChI InChI=1S/C7H5BrN2O2S/c1-2-12-7(11)5-4(3-9)13-10-6(5)8/h2H2,1H3
InChIKey JKAKWPKAPRTUOB-UHFFFAOYSA-N
Mol Weight 261.09 g/mol
Molecular Formula C7H5BrN2O2S
Exact Mass 259.925512 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 A7j0nPbMwTY
Name Ethyl 3-bromo-5-cyanoisothiazole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5BrN2O2S
InChI InChI=1S/C7H5BrN2O2S/c1-2-12-7(11)5-4(3-9)13-10-6(5)8/h2H2,1H3
InChIKey JKAKWPKAPRTUOB-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c3ra47261b
Molecular Weight 261.093 g/mol
SMILES c1(C#N)c(C(=O)OCC)c(ns1)Br
SPLASH splash10-00lr-1390000000-5aa6bf9173deb0164ef0
Source of Spectrum RSA-4-7744-26b
Synonyms 3-Bromo-5-cyano-4-isothiazolecarboxylic acid ethyl ester Ethyl 3-bromo-5-cyano-1,2-thiazole-4-carboxylate Ethyl 3-bromo-5-cyano-isothiazole-4-carboxylate Ethyl 3-bromanyl-5-cyano-1,2-thiazole-4-carboxylate
Wiley ID 1747912