Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C33H28N2O2/c1-21-17-22(2)29-20-31(27-13-15-28(16-14-27)35(36)37)33(34-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3
SMILES	Cc1cc(C)c2c(c1)nc(c(c2)c1ccc(cc1)[N+](=O)[O-])c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key	RCTOFKKNQOEIDV-UHFFFAOYSA-N
Exact Mass	484.588 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RCTOFKKNQOEIDV-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/RCTOFKKNQOEIDV-UHFFFAOYSA-N/CHMO0000604
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:34:13.954045
MetadataModified	2024-09-23T09:23:46.542704
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 : Feb27-2024 date : 20240228 starting time : 0.06 h instrument : Avance NEO label : KT-762 id : 296953 Solvent : CD2Cl2

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.