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/C16H15BrO2/c1-10-9-15(17)11(2)8-14(10)12-4-6-13(7-5-12)16(18)19-3/h4-9H,1-3H3
SMILES COC(=O)c1ccc(cc1)c1cc(C)c(cc1C)Br
InChI Key BICFGMWXDYEYKB-UHFFFAOYSA-N
Molecular Formula C16H15BrO2
Exact Mass 319.193 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BICFGMWXDYEYKB-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/BICFGMWXDYEYKB-UHFFFAOYSA-N/CHMO0000593
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:26:27.358331
MetadataModified 2024-09-07T18:20:31.191096
MetadataPublished 2020-08-05
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
146681431 PubChem
The data in this table is sourced from UniChem at EBI.