Dataset

nuclear magnetic resonance spectroscopy (NMR)

Chemical Info

InChI	InChI=1S/C47H40N4/c1-47(2,3)38-29-37-22-20-32-16-14-31(15-17-32)18-19-33-21-27-40-41(30-38)43(37)51(42(40)28-33)39-25-23-36(24-26-39)46-49-44(34-10-6-4-7-11-34)48-45(50-46)35-12-8-5-9-13-35/h4-17,21,23-30H,18-20,22H2,1-3H3
SMILES	CC(c1cc2CCc3ccc(cc3)CCc3ccc4c(c1)c2n(c4c3)c1ccc(cc1)c1nc(nc(n1)c1ccccc1)c1ccccc1)(C)C
InChI Key	HXLBNGXQOHGOFK-UHFFFAOYSA-N
Exact Mass	660.847 g/mol

Data and Resources

• nuclear magnetic resonance spectroscopy (NMR)HTML
  Explore

  • More information
  • Go to resource

• nuclear-magnetic-re...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HXLBNGXQOHGOFK-UHFFFAOYSA-N/CHMO0000591
License URL
Source	https://www.chemotion-repository.net/inchikey/HXLBNGXQOHGOFK-UHFFFAOYSA-N/CHMO0000591
Version
Author	Jasmin Seibert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:16:33.291758
MetadataModified	2024-09-23T09:25:38.555386
MetadataPublished	2024-07-26

Field	Value
Measurement Technique	nuclear magnetic resonance spectroscopy
Measurement Variables	temperature : 295.0 K PULPROG : zg30 number of scans : 4 scans title : 2208151056-0-11-jts22 date : 20220816 starting time : 10.56 h instrument : spect label : JTS-19 id : 99375 Solvent : chloroform-D1 (CDCl3)

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