Dataset

heteronuclear multiple bond coherence (HMBC)

Chemical Info

InChI	InChI=1S/C21H22NP/c1-15-9-16(2)12-19(11-15)23(21-7-5-6-8-22-21)20-13-17(3)10-18(4)14-20/h5-14H,1-4H3
SMILES	Cc1cc(C)cc(c1)P(c1cc(C)cc(c1)C)c1ccccn1
InChI Key	QRDGLFDBJFMAHP-UHFFFAOYSA-N
Molecular Formula	C21H22NP
Exact Mass	319.380 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QRDGLFDBJFMAHP-UHFFFAOYSA-N/CHMO0000601
License URL
Source	https://www.chemotion-repository.net/inchikey/QRDGLFDBJFMAHP-UHFFFAOYSA-N/CHMO0000601
Version
Author	Jasmin Busch
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:59:46.596082
MetadataModified	2024-09-07T19:04:04.866591
MetadataPublished	2020-10-29

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables

Data-Source Molecule ID	Data-Source
87392450	PubChem
SCHEMBL2467757	SureChEMBL
The data in this table is sourced from UniChem at EBI.