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/C24H21BrO4/c1-13-10-19-21(26)16-6-4-5-7-17(16)22(27)24(19,12-14(13)2)23(28)18-11-15(29-3)8-9-20(18)25/h4-9,11,19H,10,12H2,1-3H3
SMILES COc1ccc(c(c1)C(=O)C12CC(=C(CC1C(=O)c1c(C2=O)cccc1)C)C)Br
InChI Key UKTGPOJWCWJQMV-UHFFFAOYSA-N
Molecular Formula C24H21BrO4
Exact Mass 453.325 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UKTGPOJWCWJQMV-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/UKTGPOJWCWJQMV-UHFFFAOYSA-N/CHMO0000593
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:13:45.258121
MetadataModified 2024-09-07T18:03:17.515987
MetadataPublished 2020-05-07
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
146035839 PubChem
The data in this table is sourced from UniChem at EBI.