Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C22H19NO2/c24-23(25)21-13-11-20(12-14-21)22-15-18-6-5-16-1-3-17(4-2-16)7-9-19(22)10-8-18/h1-4,8,10-15H,5-7,9H2
SMILES	[O-][N+](=O)c1ccc(cc1)c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key	XRZQCHKTIVOMJE-UHFFFAOYSA-N
Exact Mass	329.392 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/XRZQCHKTIVOMJE-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/XRZQCHKTIVOMJE-UHFFFAOYSA-N/CHMO0000604
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:38:26.726958
MetadataModified	2024-09-23T09:24:09.701700
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 : Dec12-2023 date : 20231212 starting time : 22.08 h instrument : Avance NEO label : KT-588 id : 287740 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
145707042	PubChem
MIMDEV	CCDC
The data in this table is sourced from UniChem at EBI.