5-[(4-Bromophenoxy)methyl]-3-isopropyl-1,3-oxazolan-2-one
5241
Reference
5-[(4-Bromophenoxy)methyl]-3-isopropyl-1,3-oxazolan-2-one Structure
Systematic / IUPAC Name: 5-[(4-Bromophenoxy)methyl]-3-isopropyl-1,3-oxazolidin-2-one
ID: Reference5241
Other Names: 2-Oxazolidinone, 5-[(4-bromophenoxy)methyl]-3-(1-methylethyl)-
Formula: C13H16BrNO3
Spectral Data
5-[(4-Bromophenoxy)methyl]-3-isopropyl-1,3-oxazolan-2-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| 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 | 7/22/2016 10:32:28 AM |
Identificators
| InChI | InChI=1S/C13H16BrNO3/c1-9(2)15-7-12(18-13(15)16)8-17-11-5-3-10(14)4-6-11/h3-6,9,12H,7-8H2,1-2H3 |
| InChI Key | ZWWHJSZDVHUDEE-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)N1CC(OC1=O)COC2=CC=C(C=C2)Br |
| CAS | |
| Splash | |
| Other Names | 2-Oxazolidinone, 5-[(4-bromophenoxy)methyl]-3-(1-methylethyl)- |
In Other Databases
| ChEMBL | CHEMBL1702377 |
| PubChem | 2725802 |
| ChemSpider | 2007874 |