Dataset

heteronuclear multiple bond coherence (HMBC)

Chemical Info

InChI	InChI=1S/C15H16N2/c1-16-13-10-6-7-11-14(13)17(2)15(16)12-8-4-3-5-9-12/h3-11,15H,1-2H3
SMILES	CN1C(c2ccccc2)N(c2c1cccc2)C
InChI Key	VDFIVJSRRJXMAU-UHFFFAOYSA-N
Exact Mass	224.301 g/mol

Data and Resources

• heteronuclear multiple bond coherence (HMBC)HTML
  Explore

  • More information
  • Go to resource

• heteronuclear-multi...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VDFIVJSRRJXMAU-UHFFFAOYSA-N/CHMO0000601.1
License URL
Source	https://www.chemotion-repository.net/inchikey/VDFIVJSRRJXMAU-UHFFFAOYSA-N/CHMO0000601.1
Version
Author	Fabian Schönle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:26:47.570727
MetadataModified	2024-09-23T09:23:13.165785
MetadataPublished	2024-05-17

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	temperature : 300.0 K PULPROG : hmbcgpndqf number of scans : 8 scans title : FAS-R28A-Volla. date : 20240502 starting time : 23.51 h instrument : spect label : FAS-85 id : 116407 Solvent : DMSO

Data-Source Molecule ID	Data-Source
199049	PubChem
15960658	PubChem: Thomson Pharma
3652-92-4	ACToR
SCHEMBL993337	SureChEMBL
CB72154218	ChemicalBook
MCULE-8940618569	Mcule
DTXSID90190025	EPA CompTox Dashboard
J69.240I	Nikkaji
ZINC000000225668	ZINC
The data in this table is sourced from UniChem at EBI.