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/C8H9BrO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6H2
SMILES OCC(c1ccccc1)Br
InChI Key QXOPAHUDEPTDQJ-UHFFFAOYSA-N
Molecular Formula C8H9BrO
Exact Mass 201.060 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QXOPAHUDEPTDQJ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/QXOPAHUDEPTDQJ-UHFFFAOYSA-N/CHMO0000593
Version
Author Michael Konstantinos Bogdos
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:01:02.091118
MetadataModified 2024-09-07T23:53:37.606753
MetadataPublished 2022-11-21
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
578332 PubChem
J114.026D Nikkaji
MolPort-044-175-366 MolPort
15266192 PubChem: Thomson Pharma
SCHEMBL606474 SureChEMBL
The data in this table is sourced from UniChem at EBI.