Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C 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/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/AOJFQRQNPXYVLM-UHFFFAOYSA-N/CHMO0000595
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:33:20.424206
MetadataModified 2024-09-23T09:26:40.482078
MetadataPublished 2024-08-26
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Temperature : 300.0 K K

Puls programme : zgpg30

Number of scans : 1024

Title : FAS-Pyridin-UCl

Date : 20240815

Start time : 9.44 h

Instrument : spect

Label : CCP-3580

ID : 321691

Solvent : chloroform-D1 (CDCl3)

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