Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C42H36N4P2.2C2F6NO4S2.Au.Cd.ClH/c1-5-20-37(21-6-1)47(38-22-7-2-8-23-38)41-28-15-18-35(44-41)32-46(31-34-17-13-14-30-43-34)33-36-19-16-29-42(45-36)48(39-24-9-3-10-25-39)40-26-11-4-12-27-40;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;;/h1-30H,31-33H2;;;;;1H/q;2*-1;+1;+2;/p-1
SMILES c1ccc(nc1)CN(Cc1cccc(n1)P(c1ccccc1)c1ccccc1)Cc1cccc(n1)P(c1ccccc1)c1ccccc1.FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.[Cl-][Cd+2].[Au+]
InChI Key ROAMLNYWKRACHK-UHFFFAOYSA-M
Exact Mass 1563.832 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ROAMLNYWKRACHK-UHFFFAOYSA-M/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/ROAMLNYWKRACHK-UHFFFAOYSA-M/CHMO0001146
Version
Author Michael E. Tauchert
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-01-15
Related Molecule
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Title : AE-376-voll

Date : 20240604

Starting time : 5.58 h

label : MAE-335

id : 119006

Solvent used for referencing : THF

temperature : 297.9 K

PULPROG : hsqcetgpsi2

number of scans : 2 scans

instrument : spect

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