Dataset

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

Chemical Info

InChI	InChI=1S/C26H24N2O4/c1-15-23(27-24(29)16-9-5-4-6-10-16)18-13-21(31-2)22(32-3)14-20(18)26(15)19-12-8-7-11-17(19)25(30)28-26/h4-15,23H,1-3H3,(H,27,29)(H,28,30)/t15-,23-,26-/m0/s1
SMILES	COc1cc2[C@@H](NC(=O)c3ccccc3)[C@@H]([C@]3(c2cc1OC)NC(=O)c1c3cccc1)C
InChI Key	GLDABFPRVOJTQO-UVJUKZLASA-N
Exact Mass	428.480 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.14272/GLDABFPRVOJTQO-UVJUKZLASA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/GLDABFPRVOJTQO-UVJUKZLASA-N/CHMO0001150
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:06:51.100909
MetadataModified	2024-09-23T09:20:31.493878
MetadataPublished	2023-12-15

Field	Value
Measurement Technique	1H–1H correlation spectroscopy
Measurement Variables	temperature : 295.9 K PULPROG : zg30 number of scans : 16 scans title : MHA-R142-59 date : 20230726 starting time : 20.01 instrument : spect label : MHA-212 id : 107447 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
169452722	PubChem
The data in this table is sourced from UniChem at EBI.