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/C5H5N.ClH/c1-2-4-6-5-3-1;/h1-5H;1H
SMILES c1cccnc1.Cl
InChI Key AOJFQRQNPXYVLM-UHFFFAOYSA-N
Exact Mass 115.561 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AOJFQRQNPXYVLM-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/AOJFQRQNPXYVLM-UHFFFAOYSA-N/CHMO0000593
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:33:15.864390
MetadataModified 2024-09-23T09:26:39.408688
MetadataPublished 2024-08-26
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
temperature : 300.0 K

PULPROG : zg30

number of scans : 16 scans

title : FAS-Pyridin-UCl

date : 20240814

starting time : 15.43 h

instrument : spect

label : CCP-3580

id : 321691

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
12777679 PubChem
10176127 PubChem
MolPort-003-928-425 MolPort
22666620 PubChem
1U87419851 FDA SRS
628-13-7 ACToR
491173 eMolecules
15170554 PubChem: Thomson Pharma
15170555 PubChem: Thomson Pharma
69401 PubChem
SCHEMBL23609 SureChEMBL
DTXSID6027262 EPA CompTox Dashboard
CB0725473 ChemicalBook
The data in this table is sourced from UniChem at EBI.