Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C20H20BrNO3/c21-16-8-4-9-17-15(16)12-18(19-10-5-11-24-19)22(17)20(23)25-13-14-6-2-1-3-7-14/h1-7,9-11,15-18H,8,12-13H2/t15-,16?,17+,18+/m1/s1
SMILES BrC1CC=C[C@H]2[C@@H]1C[C@H](N2C(=O)OCc1ccccc1)c1ccco1
InChI Key YZIVJRPJMXCFQS-VGKGQJMESA-N
Molecular Formula C20H20BrNO3
Exact Mass 402.282 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YZIVJRPJMXCFQS-VGKGQJMESA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/YZIVJRPJMXCFQS-VGKGQJMESA-N/Mass/EI
Version
Author Paul Sauter
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:58:25.386150
MetadataModified 2024-09-07T13:23:44.603351
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
73427491 PubChem
The data in this table is sourced from UniChem at EBI.