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/C10H21BO2/c1-4-7-9-12-11(6-3)13-10-8-5-2/h6H,3-5,7-10H2,1-2H3
SMILES CCCCOB(OCCCC)C=C
InChI Key JQKJEPJLCSCBGW-UHFFFAOYSA-N
Molecular Formula C10H21BO2
Exact Mass 184.084 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JQKJEPJLCSCBGW-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/JQKJEPJLCSCBGW-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Benjamin Goerling
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:03:54.483570
MetadataModified 2024-09-07T13:31:50.286515
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J1.054.893D Nikkaji
SCHEMBL403419 SureChEMBL
20027417 NMRShiftDB
CB3498570 ChemicalBook
522326 eMolecules
16754649 PubChem: Thomson Pharma
6336-45-4 ACToR
DTXSID00284808 EPA CompTox Dashboard
ZINC000169876976 ZINC
236543 PubChem
The data in this table is sourced from UniChem at EBI.