Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C36H27N/c1-4-10-28(11-5-1)31-16-22-34(23-17-31)37(35-24-18-32(19-25-35)29-12-6-2-7-13-29)36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27H
SMILES	c1ccc(cc1)c1ccc(cc1)N(c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1
InChI Key	RORPOZIIMCFMFH-UHFFFAOYSA-N
Molecular Formula	C36H27N
Exact Mass	473.606 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RORPOZIIMCFMFH-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/RORPOZIIMCFMFH-UHFFFAOYSA-N/CHMO0000604
Version
Author	Ksenia Kutonova
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:50:50.129627
MetadataModified	2024-09-07T17:31:47.117376
MetadataPublished	2020-04-08

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables

Data-Source Molecule ID	Data-Source
WEHLIE	CCDC
J954.843B	Nikkaji
SCHEMBL804835	SureChEMBL
CB93147644	ChemicalBook
DTXSID60593741	EPA CompTox Dashboard
18435272	PubChem
The data in this table is sourced from UniChem at EBI.