Dataset

heteronuclear single quantum coherence (HSQC)

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

• heteronuclear single quantum coherence (HSQC)HTML
  Explore

  • More information
  • Go to resource

• heteronuclear-singl...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FPTZBVJQJYUZKV-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/FPTZBVJQJYUZKV-UHFFFAOYSA-N/CHMO0000604
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:48:21.784508
MetadataModified	2024-09-23T09:24:56.182396
MetadataPublished	2024-05-21

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	temperature : 298.0 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans title : Nov27-2023 date : 20231127 starting time : 23.48 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.