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/C3H7Br/c1-3(2)4/h3H,1-2H3
SMILES CC(Br)C
InChI Key NAMYKGVDVNBCFQ-UHFFFAOYSA-N
Molecular Formula C3H7Br
Exact Mass 122.992 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NAMYKGVDVNBCFQ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/NAMYKGVDVNBCFQ-UHFFFAOYSA-N/CHMO0000593
Version
Author Michael Konstantinos Bogdos
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:01:07.005192
MetadataModified 2024-09-07T23:53:46.350970
MetadataPublished 2022-11-21
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CB1854219 ChemicalBook
166479 Brenda
75-26-3 ACToR
R651XOV97Z FDA SRS
14842884 PubChem: Thomson Pharma
6358 PubChem
10005622 NMRShiftDB
MCULE-4068304617 Mcule
490944 eMolecules
CHEMBL451810 ChEMBL
DTXSID7030197 EPA CompTox Dashboard
ZINC000002041293 ZINC
BESXUS CCDC
J1.447H Nikkaji
SCHEMBL10251 SureChEMBL
The data in this table is sourced from UniChem at EBI.