Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

InChI	InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+
SMILES	c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1
InChI Key	DERZBLKQOCDDDZ-JLHYYAGUSA-N
Exact Mass	368.514 g/mol

Data and Resources

Field	Value
DOI	10.14272/DERZBLKQOCDDDZ-JLHYYAGUSA-N/CHMO0000601
License URL
Source	https://www.chemotion-repository.net/inchikey/DERZBLKQOCDDDZ-JLHYYAGUSA-N/CHMO0000601
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-10-08
Related Molecule

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	date : 2025-08-28 starting time : 16:52:07 UTC creator : Simone Gräßle label : CCP-3745 id : 384725 Solvent : DMSO temperature : 297.998659730944 K PULPROG : hmbcgpndqf number of scans : 8 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
DB00568	drugbank
CHEBI:31403	chebi
N90	rcsb_pdb
CHEMBL43064	chembl
44957	surechembl
1547484	pubchem
3DI2E1X18L	fdasrs
PD002810	probes_and_drugs
CINNAZ	CCDC
243490	brenda
181816	bindingdb
50608103	bindingdb
50739351	bindingdb
50775028	bindingdb
50775182	bindingdb
50775227	bindingdb
50777239	bindingdb
50913418	bindingdb
50913437	bindingdb
75102	bindingdb
90678	bindingdb
Molport-002-056-760	molport
654	drugcentral
The data in this table is sourced from UniChem at EBI.