Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C12H12BrNO/c13-10-5-9-3-4-14-11(9)6-12(10)15-7-8-1-2-8/h3-6,8,14H,1-2,7H2
SMILES Brc1cc2cc[nH]c2cc1OCC1CC1
InChI Key KIRAXAMYQAXCQC-UHFFFAOYSA-N
Molecular Formula C12H12BrNO
Exact Mass 266.134 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KIRAXAMYQAXCQC-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/KIRAXAMYQAXCQC-UHFFFAOYSA-N/CHMO0001150
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:14:28.418935
MetadataModified 2024-09-08T01:14:28.418941
MetadataPublished 2023-07-31
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
168433105 PubChem
The data in this table is sourced from UniChem at EBI.