Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C64H35NO2/c66-61-45-21-7-14-28-58(45)65-59-35-57-46(43-20-6-13-27-55(43)64(57)52-24-10-3-17-40(52)41-18-4-11-25-53(41)64)34-47(59)62(67)49-32-37(31-48(61)60(49)65)36-29-30-44-42-19-5-12-26-54(42)63(56(44)33-36)50-22-8-1-15-38(50)39-16-2-9-23-51(39)63/h1-35H
SMILES O=c1c2cc(cc3c2n(c2c1cccc2)c1c(c3=O)cc2-c3c(C4(c2c1)c1ccccc1-c1c4cccc1)cccc3)c1ccc2-c3c(C4(c2c1)c1ccccc1-c1c4cccc1)cccc3
InChI Key IDHLBQTYSIDCBK-UHFFFAOYSA-N
Exact Mass 849.968 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IDHLBQTYSIDCBK-UHFFFAOYSA-N/CHMO0001150.1
License URL
Source https://www.chemotion-repository.net/inchikey/IDHLBQTYSIDCBK-UHFFFAOYSA-N/CHMO0001150.1
Version
Author Janine Haug
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-09-16
Related Molecule
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
No additional information available for this Dataset.