Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C17H9BrO3/c18-14-8-4-3-7-12(14)17(21)13-9-15(19)10-5-1-2-6-11(10)16(13)20/h1-9H
SMILES Brc1ccccc1C(=O)C1=CC(=O)c2c(C1=O)cccc2
InChI Key UANJEQXEUPIUPS-UHFFFAOYSA-N
Molecular Formula C17H9BrO3
Exact Mass 341.156 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UANJEQXEUPIUPS-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/UANJEQXEUPIUPS-UHFFFAOYSA-N/CHMO0000593
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:15:13.824142
MetadataModified 2024-09-07T18:05:06.695715
MetadataPublished 2020-05-07
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
86055257 PubChem
UYUCOJ CCDC
The data in this table is sourced from UniChem at EBI.