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/C6H9N3O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H3,7,8,9)
SMILES CCOC(=O)c1c[nH]nc1N
InChI Key YPXGHKWOJXQLQU-UHFFFAOYSA-N
Exact Mass 155.155 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YPXGHKWOJXQLQU-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/YPXGHKWOJXQLQU-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:12:48.241583
MetadataModified 2024-09-23T09:21:20.393823
MetadataPublished 2023-12-20
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Temperature : 300.0 K K

Puls programme : zgpg30

Number of scans : 1024

Title : SG-CCP-2242

Date : 20231213

Start time : 2.02 h

Instrument : spect

Label : CCP-2122

ID : 139360

Solvent : chloroform-D1 (CDCl3)

Temperature : 300.0 K K

Puls programme : zgpg30

Number of scans : 512

Title : SG-CCP-2242

Date : 20231212

Start time : 19.39 h

Instrument : spect

Label : CCP-2122

ID : 139360

Solvent : DMSO