Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C32H27NO/c1-34-28-17-18-31-27(20-28)21-30(25-5-3-2-4-6-25)32(33-31)29-19-24-12-11-22-7-9-23(10-8-22)13-15-26(29)16-14-24/h2-10,14,16-21H,11-13,15H2,1H3
SMILES	COc1ccc2c(c1)cc(c(n2)c1cc2CCc3ccc(CCc1cc2)cc3)c1ccccc1
InChI Key	VTBRCGKGKFRWJI-UHFFFAOYSA-N
Exact Mass	441.563 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VTBRCGKGKFRWJI-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/VTBRCGKGKFRWJI-UHFFFAOYSA-N/CHMO0000604
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:35:05.391196
MetadataModified	2024-09-23T09:23:50.419880
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 : Feb14-2024 date : 20240215 starting time : 2.54 h instrument : Avance NEO label : KT-713 id : 295005 Solvent : chloroform-D1 (CDCl3)

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