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
10005622 NMRShiftDB
MCULE-4068304617 Mcule
SCHEMBL10251 SureChEMBL
14842884 PubChem: Thomson Pharma
75-26-3 ACToR
R651XOV97Z FDA SRS
6358 PubChem
490944 eMolecules
CHEMBL451810 ChEMBL
ZINC000002041293 ZINC
DTXSID7030197 EPA CompTox Dashboard
J1.447H Nikkaji
BESXUS CCDC
The data in this table is sourced from UniChem at EBI.