Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C20H16BrNO2/c1-23-15-7-9-19-17(11-15)18-12-16(24-2)8-10-20(18)22(19)14-5-3-13(21)4-6-14/h3-12H,1-2H3
SMILES COc1ccc2c(c1)c1cc(OC)ccc1n2c1ccc(cc1)Br
InChI Key RLFONFBXHGXNET-UHFFFAOYSA-N
Molecular Formula C20H16BrNO2
Exact Mass 382.251 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RLFONFBXHGXNET-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/RLFONFBXHGXNET-UHFFFAOYSA-N/CHMO0000470
Version
Author Steffen Otterbach
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:56:16.460262
MetadataModified 2024-09-08T01:56:16.460266
MetadataPublished 2023-11-13
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
122679750 PubChem
SCHEMBL18216935 SureChEMBL
The data in this table is sourced from UniChem at EBI.