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/C8H8Br2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,6H2
SMILES BrCC(c1ccccc1)Br
InChI Key SHKKTLSDGJRCTR-UHFFFAOYSA-N
Molecular Formula C8H8Br2
Exact Mass 263.957 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SHKKTLSDGJRCTR-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/SHKKTLSDGJRCTR-UHFFFAOYSA-N/CHMO0000593
Version
Author Michael Konstantinos Bogdos
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:01:04.569644
MetadataModified 2024-09-07T23:53:42.698763
MetadataPublished 2022-11-21
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
7145 PubChem
16035585 PubChem: Thomson Pharma
DTXSID7052735 EPA CompTox Dashboard
CB3232628 ChemicalBook
SCHEMBL331173 SureChEMBL
93-52-7 ACToR
102921-26-6 ACToR
485770 eMolecules
MolPort-001-768-414 MolPort
MCULE-3539396712 Mcule
J4.677I Nikkaji
10005887 NMRShiftDB
PUE9VR0TBW FDA SRS
The data in this table is sourced from UniChem at EBI.