2-({4-[(4-Bromophenyl)thio]-3-nitrobenzyl}amino)propanoic acid

Systematic / IUPAC Name: N-{4-[(4-Bromophenyl)sulfanyl]-3-nitrobenzyl}alanine

ID: Reference3856

Other Names: Alanine, N-({4-[(4-bromophenyl)thio]-3-nitrophenyl}methyl)-

Formula: C16H15BrN2O4S

Spectral Data

2-({4-[(4-Bromophenyl)thio]-3-nitrobenzyl}amino)propanoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/15/2016 2:10:29 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C16H15BrN2O4S/c1-10(16(20)21)18-9-11-2-7-15(14(8-11)19(22)23)24-13-5-3-12(17)4-6-13/h2-8,10,18H,9H2,1H3,(H,20,21)
InChI Key LHGLISWQNAPAER-UHFFFAOYSA-N
Canonical SMILES
CAS
Splash
Other Names Alanine, N-({4-[(4-bromophenyl)thio]-3-nitrophenyl}methyl)-

In Other Databases

PubChem 2727633
ChemSpider 2009649