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/2C18H15P.C12H8N3S.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-11-10(5-1)15-12(16-11)14-8-9-4-3-7-13-9;/h2*1-15H;1-8H;/q;;-1;+1/b;;14-8+;
SMILES c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Cu]n1cccc1/C=N/c1nc2c(s1)cccc2
InChI Key KVOIVNBYNQXCNY-BOCHJOTCSA-N
Exact Mass 814.394 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KVOIVNBYNQXCNY-BOCHJOTCSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/KVOIVNBYNQXCNY-BOCHJOTCSA-N/CHMO0000595
Version
Author Valentina Ferraro
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:18:01.025273
MetadataModified 2024-09-23T10:22:42.396663
MetadataPublished
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Temperature : 298.0 K K

Puls programme : zgpg30

Number of scans : 1024

Title : Nov21-2023-braese

Date : 20231121

Start time : 19.10 h

Instrument : spect

Label : VF-227

ID : 106431

Solvent : chloroform-D1 (CDCl3)