Dataset

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

Chemical Info

InChI	InChI=1S/C12H12N2/c1-10-4-6-11(7-5-10)14-9-12-3-2-8-13-12/h2-9,13H,1H3/b14-9+
SMILES	Cc1ccc(cc1)/N=C/c1ccc[nH]1
InChI Key	UTSSSVWAYAQTOV-NTEUORMPSA-N
Exact Mass	184.237 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UTSSSVWAYAQTOV-NTEUORMPSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/UTSSSVWAYAQTOV-NTEUORMPSA-N/CHMO0001146
Version
Author	Valentina Ferraro
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:13:49.057631
MetadataModified	2024-09-23T09:22:41.838174
MetadataPublished	2024-04-17

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables	temperature : 298.0 K PULPROG : hsqcedetgpsisp2.3 number of scans : 8 scans title : Oct27-2023-braese date : 20231027 starting time : 6.30 h instrument : spect label : VF-86 id : 106289 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
SCHEMBL14421110	SureChEMBL
J1.434.418G	Nikkaji
The data in this table is sourced from UniChem at EBI.