Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Info

InChI	InChI=1S/C19H18NP/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18/h3-14H,1-2H3
SMILES	Cc1ccc(cc1)P(c1ccccn1)c1ccc(cc1)C
InChI Key	GCOUUCTXNLMQAN-UHFFFAOYSA-N
Molecular Formula	C19H18NP
Exact Mass	291.327 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GCOUUCTXNLMQAN-UHFFFAOYSA-N/CHMO0001146.1
License URL
Source	https://www.chemotion-repository.net/inchikey/GCOUUCTXNLMQAN-UHFFFAOYSA-N/CHMO0001146.1
Version
Author	Clara Adam
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:57:27.533295
MetadataModified	2025-01-29T16:49:03.906516
MetadataPublished	2024-12-09

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables	temperature : 298.0 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans title : May03-2024-braese date : 20240503 starting time : 12.21 h instrument : spect label : CRA-254 id : 118513 Solvent : DMSO

Data-Source Molecule ID	Data-Source
21284190	PubChem
SCHEMBL1219501	SureChEMBL
The data in this table is sourced from UniChem at EBI.