Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C10H13N3/c1-10(2,3)8-4-6-9(7-5-8)12-13-11/h4-7H,1-3H3
SMILES	CC(c1ccc(cc1)N=[N+]=[N-])(C)C
InChI Key	FPTZBVJQJYUZKV-UHFFFAOYSA-N
Exact Mass	175.230 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FPTZBVJQJYUZKV-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/FPTZBVJQJYUZKV-UHFFFAOYSA-N/CHMO0000593
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:48:26.369927
MetadataModified	2024-09-23T09:24:58.946209
MetadataPublished	2024-05-21

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : Nov27-2023 date : 20231127 starting time : 11.06 h instrument : Avance NEO label : TIK-81 id : 111628 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
J2.558.102D	Nikkaji
SCHEMBL243077	SureChEMBL
20336103	PubChem
The data in this table is sourced from UniChem at EBI.