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/C27H38N2.Au.ClH/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;;/h9-16,18-21H,17H2,1-8H3;;1H/q;+1;/p-1
SMILES CC(c1cccc(c1N1C=CN(C1)c1c(cccc1C(C)C)C(C)C)C(C)C)C.Cl[Au]
InChI Key UAUDQGGWKSQITI-UHFFFAOYSA-M
Molecular Formula C27H38AuClN2
Exact Mass 623.024 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UAUDQGGWKSQITI-UHFFFAOYSA-M/NMR/13C/CDCl3/75
License URL
Source https://www.chemotion-repository.net/inchikey/UAUDQGGWKSQITI-UHFFFAOYSA-M/NMR/13C/CDCl3/75
Version
Author Alexander Maier
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:59:15.904261
MetadataModified 2024-09-07T13:25:00.619311
MetadataPublished 2014-05-27
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
71529527 PubChem
163523195 PubChem: Thomson Pharma
73427497 PubChem
The data in this table is sourced from UniChem at EBI.