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/2C18H15P.C6H4N2Se.ClHO4.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5(3-1)7-9-8-6;2-1(3,4)5;/h2*1-15H;1-4H;(H,2,3,4,5);/q;;;;+1/p-1
SMILES c1ccc2c(c1)n[se]n2.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O.[Cu+]
InChI Key ZVVVMNPCOQCMKO-UHFFFAOYSA-M
Exact Mass 870.637 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZVVVMNPCOQCMKO-UHFFFAOYSA-M/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ZVVVMNPCOQCMKO-UHFFFAOYSA-M/CHMO0000593
Version
Author Valentina Ferraro
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:15:23.960786
MetadataModified 2024-09-23T09:25:32.689019
MetadataPublished 2024-07-23
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
temperature : 298.0 K

PULPROG : zg30

number of scans : 16 scans

title : Apr05-2023

date : 20230405

starting time : 14.39 h

instrument : Avance NEO

label : VF-764

id : 113164

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
No additional information available for this Dataset.