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/C10H15N6O.F6P/c1-14(2)10(15(3)4)17-16-8-6-5-7-11-9(8)12-13-16;1-7(2,3,4,5)6/h5-7H,1-4H3;/q+1;-1
SMILES [F-][P](F)(F)(F)(F)F.CN([C+](N(C)C)On1nnc2c1cccn2)C
InChI Key RJTWPYLEDFQYIM-UHFFFAOYSA-N
Molecular Formula C10H15F6N6OP
Exact Mass 380.230 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RJTWPYLEDFQYIM-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/RJTWPYLEDFQYIM-UHFFFAOYSA-N/CHMO0000595
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:20:31.610217
MetadataModified 2025-01-29T16:13:40.167810
MetadataPublished 2024-11-08
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Temperature : 300.0 K K

Puls programme : zgpg30

Number of scans : 4096

Title : SVS-CC01011

Date : 20240302

Start time : 18.07 h

Instrument : spect

Label : SVS-2858

ID : 297580

Solvent : DMSO

Data-Source Molecule ID Data-Source
16256667 PubChem: Thomson Pharma
11176438 PubChem
The data in this table is sourced from UniChem at EBI.